Daily Papers

Out-of-distribution (OOD) generalization is a favorable yet challenging property for deep neural networks. The core challenges lie in the limited availability of source domains that help models learn an invariant representation from the spurious features. Various domain augmentation have been proposed but largely rely on interpolating existing domains and frequently face difficulties in creating truly "novel" domains. Humans, on the other hand, can easily extrapolate novel domains, thus, an intriguing question arises: How can neural networks extrapolate like humans and achieve OOD generalization? We introduce a novel approach to domain extrapolation that leverages reasoning ability and the extensive knowledge encapsulated within large language models (LLMs) to synthesize entirely new domains. Starting with the class of interest, we query the LLMs to extract relevant knowledge for these novel domains. We then bridge the gap between the text-centric knowledge derived from LLMs and the pixel input space of the model using text-to-image generation techniques. By augmenting the training set of domain generalization datasets with high-fidelity, photo-realistic images of these new domains, we achieve significant improvements over all existing methods, as demonstrated in both single and multi-domain generalization across various benchmarks. With the ability to extrapolate any domains for any class, our method has the potential to learn a generalized model for any task without any data. To illustrate, we put forth a much more difficult setting termed, data-free domain generalization, that aims to learn a generalized model in the absence of any collected data. Our empirical findings support the above argument and our methods exhibit commendable performance in this setting, even surpassing the supervised setting by approximately 1-2\% on datasets such as VLCS.

Large Language Models (LLMs) have shown excellent performance in language understanding, text generation, code synthesis, and many other tasks, while they still struggle in complex multi-step reasoning problems, such as mathematical reasoning. In this paper, through a newly proposed arithmetical puzzle problem, we show that the model can perform well on multi-step reasoning tasks via fine-tuning on high-quality synthetic data. Experimental results with the open-llama-3B model on three different test datasets show that not only the model can reach a zero-shot pass@1 at 0.44 on the in-domain dataset, it also demonstrates certain generalization capabilities on the out-of-domain datasets. Specifically, this paper has designed two out-of-domain datasets in the form of extending the numerical range and the composing components of the arithmetical puzzle problem separately. The fine-tuned models have shown encouraging performance on these two far more difficult tasks with the zero-shot pass@1 at 0.33 and 0.35, respectively.

Text-to-motion generation is a crucial task in computer vision, which generates the target 3D motion by the given text. The existing annotated datasets are limited in scale, resulting in most existing methods overfitting to the small datasets and unable to generalize to the motions of the open domain. Some methods attempt to solve the open-vocabulary motion generation problem by aligning to the CLIP space or using the Pretrain-then-Finetuning paradigm. However, the current annotated dataset's limited scale only allows them to achieve mapping from sub-text-space to sub-motion-space, instead of mapping between full-text-space and full-motion-space (full mapping), which is the key to attaining open-vocabulary motion generation. To this end, this paper proposes to leverage the atomic motion (simple body part motions over a short time period) as an intermediate representation, and leverage two orderly coupled steps, i.e., Textual Decomposition and Sub-motion-space Scattering, to address the full mapping problem. For Textual Decomposition, we design a fine-grained description conversion algorithm, and combine it with the generalization ability of a large language model to convert any given motion text into atomic texts. Sub-motion-space Scattering learns the compositional process from atomic motions to the target motions, to make the learned sub-motion-space scattered to form the full-motion-space. For a given motion of the open domain, it transforms the extrapolation into interpolation and thereby significantly improves generalization. Our network, DSO-Net, combines textual decomposition and sub-motion-space scattering to solve the open-vocabulary motion generation. Extensive experiments demonstrate that our DSO-Net achieves significant improvements over the state-of-the-art methods on open-vocabulary motion generation. Code is available at https://vankouf.github.io/DSONet/.

Transformer models, notably large language models (LLMs), have the remarkable ability to perform in-context learning (ICL) -- to perform new tasks when prompted with unseen input-output examples without any explicit model training. In this work, we study how effectively transformers can bridge between their pretraining data mixture, comprised of multiple distinct task families, to identify and learn new tasks in-context which are both inside and outside the pretraining distribution. Building on previous work, we investigate this question in a controlled setting, where we study transformer models trained on sequences of (x, f(x)) pairs rather than natural language. Our empirical results show transformers demonstrate near-optimal unsupervised model selection capabilities, in their ability to first in-context identify different task families and in-context learn within them when the task families are well-represented in their pretraining data. However when presented with tasks or functions which are out-of-domain of their pretraining data, we demonstrate various failure modes of transformers and degradation of their generalization for even simple extrapolation tasks. Together our results highlight that the impressive ICL abilities of high-capacity sequence models may be more closely tied to the coverage of their pretraining data mixtures than inductive biases that create fundamental generalization capabilities.

Embodied scene understanding serves as the cornerstone for autonomous agents to perceive, interpret, and respond to open driving scenarios. Such understanding is typically founded upon Vision-Language Models (VLMs). Nevertheless, existing VLMs are restricted to the 2D domain, devoid of spatial awareness and long-horizon extrapolation proficiencies. We revisit the key aspects of autonomous driving and formulate appropriate rubrics. Hereby, we introduce the Embodied Language Model (ELM), a comprehensive framework tailored for agents' understanding of driving scenes with large spatial and temporal spans. ELM incorporates space-aware pre-training to endow the agent with robust spatial localization capabilities. Besides, the model employs time-aware token selection to accurately inquire about temporal cues. We instantiate ELM on the reformulated multi-faced benchmark, and it surpasses previous state-of-the-art approaches in all aspects. All code, data, and models will be publicly shared.

Standard Neural Networks can learn mathematical operations, but they do not extrapolate. Extrapolation means that the model can apply to larger numbers, well beyond those observed during training. Recent architectures tackle arithmetic operations and can extrapolate; however, the equally important problem of quantitative reasoning remains unaddressed. In this work, we propose a novel architectural element, the Neural Status Register (NSR), for quantitative reasoning over numbers. Our NSR relaxes the discrete bit logic of physical status registers to continuous numbers and allows end-to-end learning with gradient descent. Experiments show that the NSR achieves solutions that extrapolate to numbers many orders of magnitude larger than those in the training set. We successfully train the NSR on number comparisons, piecewise discontinuous functions, counting in sequences, recurrently finding minimums, finding shortest paths in graphs, and comparing digits in images.

The extrapolation capability of Large Language Models (LLMs) based on Rotary Position Embedding is currently a topic of considerable interest. The mainstream approach to addressing extrapolation with LLMs involves modifying RoPE by replacing 10000, the rotary base of theta_n={10000}^{-2n/d} in the original RoPE, with a larger value and providing longer fine-tuning text. In this work, we first observe that fine-tuning a RoPE-based LLM with either a smaller or larger base in pre-training context length could significantly enhance its extrapolation performance. After that, we propose \textit{Scaling Laws of RoPE-based Extrapolation}, a unified framework from the periodic perspective, to describe the relationship between the extrapolation performance and base value as well as tuning context length. In this process, we also explain the origin of the RoPE-based extrapolation issue by \textit{critical dimension for extrapolation}. Besides these observations and analyses, we achieve extrapolation up to 1 million context length within only 16K training length on LLaMA2 7B and 13B.

Scene extrapolation -- the idea of generating novel views by flying into a given image -- is a promising, yet challenging task. For each predicted frame, a joint inpainting and 3D refinement problem has to be solved, which is ill posed and includes a high level of ambiguity. Moreover, training data for long-range scenes is difficult to obtain and usually lacks sufficient views to infer accurate camera poses. We introduce DiffDreamer, an unsupervised framework capable of synthesizing novel views depicting a long camera trajectory while training solely on internet-collected images of nature scenes. Utilizing the stochastic nature of the guided denoising steps, we train the diffusion models to refine projected RGBD images but condition the denoising steps on multiple past and future frames for inference. We demonstrate that image-conditioned diffusion models can effectively perform long-range scene extrapolation while preserving consistency significantly better than prior GAN-based methods. DiffDreamer is a powerful and efficient solution for scene extrapolation, producing impressive results despite limited supervision. Project page: https://primecai.github.io/diffdreamer.

Since the introduction of the transformer model by Vaswani et al. (2017), a fundamental question has yet to be answered: how does a model achieve extrapolation at inference time for sequences that are longer than it saw during training? We first show that extrapolation can be enabled by simply changing the position representation method, though we find that current methods do not allow for efficient extrapolation. We therefore introduce a simpler and more efficient position method, Attention with Linear Biases (ALiBi). ALiBi does not add positional embeddings to word embeddings; instead, it biases query-key attention scores with a penalty that is proportional to their distance. We show that this method trains a 1.3 billion parameter model on input sequences of length 1024 that extrapolates to input sequences of length 2048, achieving the same perplexity as a sinusoidal position embedding model trained on inputs of length 2048 but training 11% faster and using 11% less memory. ALiBi's inductive bias towards recency also leads it to outperform multiple strong position methods on the WikiText-103 benchmark.

Length extrapolation has attracted considerable attention recently since it allows transformers to be tested on longer sequences than those used in training. Previous research has shown that this property can be attained by using carefully designed Relative Positional Encodings (RPEs). While these methods perform well on a variety of corpora, the conditions for length extrapolation have yet to be investigated. This paper attempts to determine what types of RPEs allow for length extrapolation through a thorough mathematical and empirical analysis. We discover that a transformer is certain to possess this property as long as the series that corresponds to the RPE's exponential converges. Two practices are derived from the conditions and examined in language modeling tasks on a variety of corpora. As a bonus from the conditions, we derive a new Theoretical Receptive Field (TRF) to measure the receptive field of RPEs without taking any training steps. Extensive experiments are conducted on the Wikitext-103, Books, Github, and WikiBook datasets to demonstrate the viability of our discovered conditions. We also compare TRF to Empirical Receptive Field (ERF) across different models, showing consistently matched trends on the aforementioned datasets. The code is available at https://github.com/OpenNLPLab/Rpe.

Linear position interpolation helps pre-trained models using rotary position embeddings (RoPE) to extrapolate to longer sequence lengths. We propose using linear position interpolation to extend the extrapolation range of models using Attention with Linear Biases (ALiBi). We find position interpolation significantly improves extrapolation capability on upstream language modelling and downstream summarization and retrieval tasks.

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

The largest experiments in machine learning now require resources far beyond the budget of all but a few institutions. Fortunately, it has recently been shown that the results of these huge experiments can often be extrapolated from the results of a sequence of far smaller, cheaper experiments. In this work, we show that not only can the extrapolation be done based on the size of the model, but on the size of the problem as well. By conducting a sequence of experiments using AlphaZero and Hex, we show that the performance achievable with a fixed amount of compute degrades predictably as the game gets larger and harder. Along with our main result, we further show that the test-time and train-time compute available to an agent can be traded off while maintaining performance.

A retrieval model should not only interpolate the training data but also extrapolate well to the queries that are different from the training data. While neural retrieval models have demonstrated impressive performance on ad-hoc search benchmarks, we still know little about how they perform in terms of interpolation and extrapolation. In this paper, we demonstrate the importance of separately evaluating the two capabilities of neural retrieval models. Firstly, we examine existing ad-hoc search benchmarks from the two perspectives. We investigate the distribution of training and test data and find a considerable overlap in query entities, query intent, and relevance labels. This finding implies that the evaluation on these test sets is biased toward interpolation and cannot accurately reflect the extrapolation capacity. Secondly, we propose a novel evaluation protocol to separately evaluate the interpolation and extrapolation performance on existing benchmark datasets. It resamples the training and test data based on query similarity and utilizes the resampled dataset for training and evaluation. Finally, we leverage the proposed evaluation protocol to comprehensively revisit a number of widely-adopted neural retrieval models. Results show models perform differently when moving from interpolation to extrapolation. For example, representation-based retrieval models perform almost as well as interaction-based retrieval models in terms of interpolation but not extrapolation. Therefore, it is necessary to separately evaluate both interpolation and extrapolation performance and the proposed resampling method serves as a simple yet effective evaluation tool for future IR studies.

Learning curve extrapolation aims to predict model performance in later epochs of training, based on the performance in earlier epochs. In this work, we argue that, while the inherent uncertainty in the extrapolation of learning curves warrants a Bayesian approach, existing methods are (i) overly restrictive, and/or (ii) computationally expensive. We describe the first application of prior-data fitted neural networks (PFNs) in this context. A PFN is a transformer, pre-trained on data generated from a prior, to perform approximate Bayesian inference in a single forward pass. We propose LC-PFN, a PFN trained to extrapolate 10 million artificial right-censored learning curves generated from a parametric prior proposed in prior art using MCMC. We demonstrate that LC-PFN can approximate the posterior predictive distribution more accurately than MCMC, while being over 10 000 times faster. We also show that the same LC-PFN achieves competitive performance extrapolating a total of 20 000 real learning curves from four learning curve benchmarks (LCBench, NAS-Bench-201, Taskset, and PD1) that stem from training a wide range of model architectures (MLPs, CNNs, RNNs, and Transformers) on 53 different datasets with varying input modalities (tabular, image, text, and protein data). Finally, we investigate its potential in the context of model selection and find that a simple LC-PFN based predictive early stopping criterion obtains 2 - 6x speed-ups on 45 of these datasets, at virtually no overhead.

Relative positional embeddings (RPE) have received considerable attention since RPEs effectively model the relative distance among tokens and enable length extrapolation. We propose KERPLE, a framework that generalizes relative position embedding for extrapolation by kernelizing positional differences. We achieve this goal using conditionally positive definite (CPD) kernels, a class of functions known for generalizing distance metrics. To maintain the inner product interpretation of self-attention, we show that a CPD kernel can be transformed into a PD kernel by adding a constant offset. This offset is implicitly absorbed in the Softmax normalization during self-attention. The diversity of CPD kernels allows us to derive various RPEs that enable length extrapolation in a principled way. Experiments demonstrate that the logarithmic variant achieves excellent extrapolation performance on three large language modeling datasets. Our implementation and pretrained checkpoints are released at https://github.com/chijames/KERPLE.git.

We study the problem of extrapolative controlled generation, i.e., generating sequences with attribute values beyond the range seen in training. This task is of significant importance in automated design, especially drug discovery, where the goal is to design novel proteins that are better (e.g., more stable) than existing sequences. Thus, by definition, the target sequences and their attribute values are out of the training distribution, posing challenges to existing methods that aim to directly generate the target sequence. Instead, in this work, we propose Iterative Controlled Extrapolation (ICE) which iteratively makes local edits to a sequence to enable extrapolation. We train the model on synthetically generated sequence pairs that demonstrate small improvement in the attribute value. Results on one natural language task (sentiment analysis) and two protein engineering tasks (ACE2 stability and AAV fitness) show that ICE considerably outperforms state-of-the-art approaches despite its simplicity. Our code and models are available at: https://github.com/vishakhpk/iter-extrapolation.

Transformer has taken the field of natural language processing (NLP) by storm since its birth. Further, Large language models (LLMs) built upon it have captured worldwide attention due to its superior abilities. Nevertheless, all Transformer-based models including these powerful LLMs suffer from a preset length limit and can hardly generalize from short training sequences to longer inference ones, namely, they can not perform length extrapolation. Hence, a plethora of methods have been proposed to enhance length extrapolation of Transformer, in which the positional encoding (PE) is recognized as the major factor. In this survey, we present these advances towards length extrapolation in a unified notation from the perspective of PE. Specifically, we first introduce extrapolatable PEs, including absolute and relative PEs. Then, we dive into extrapolation methods based on them, covering position interpolation and randomized position methods. Finally, several challenges and future directions in this area are highlighted. Through this survey, We aim to enable the reader to gain a deep understanding of existing methods and provide stimuli for future research.

Domain generalization (DG) aims to tackle the distribution shift between training domains and unknown target domains. Generating new domains is one of the most effective approaches, yet its performance gain depends on the distribution discrepancy between the generated and target domains. Distributionally robust optimization is promising to tackle distribution discrepancy by exploring domains in an uncertainty set. However, the uncertainty set may be overwhelmingly large, leading to low-confidence prediction in DG. It is because a large uncertainty set could introduce domains containing semantically different factors from training domains. To address this issue, we propose to perform a moderately distributional exploration (MODE) for domain generalization. Specifically, MODE performs distribution exploration in an uncertainty subset that shares the same semantic factors with the training domains. We show that MODE can endow models with provable generalization performance on unknown target domains. The experimental results show that MODE achieves competitive performance compared to state-of-the-art baselines.

The ability to extrapolate from short problem instances to longer ones is an important form of out-of-distribution generalization in reasoning tasks, and is crucial when learning from datasets where longer problem instances are rare. These include theorem proving, solving quantitative mathematics problems, and reading/summarizing novels. In this paper, we run careful empirical studies exploring the length generalization capabilities of transformer-based language models. We first establish that naively finetuning transformers on length generalization tasks shows significant generalization deficiencies independent of model scale. We then show that combining pretrained large language models' in-context learning abilities with scratchpad prompting (asking the model to output solution steps before producing an answer) results in a dramatic improvement in length generalization. We run careful failure analyses on each of the learning modalities and identify common sources of mistakes that highlight opportunities in equipping language models with the ability to generalize to longer problems.

Can one inject new concepts into an already trained generative model, while respecting its existing structure and knowledge? We propose a new task - domain expansion - to address this. Given a pretrained generator and novel (but related) domains, we expand the generator to jointly model all domains, old and new, harmoniously. First, we note the generator contains a meaningful, pretrained latent space. Is it possible to minimally perturb this hard-earned representation, while maximally representing the new domains? Interestingly, we find that the latent space offers unused, "dormant" directions, which do not affect the output. This provides an opportunity: By "repurposing" these directions, we can represent new domains without perturbing the original representation. In fact, we find that pretrained generators have the capacity to add several - even hundreds - of new domains! Using our expansion method, one "expanded" model can supersede numerous domain-specific models, without expanding the model size. Additionally, a single expanded generator natively supports smooth transitions between domains, as well as composition of domains. Code and project page available at https://yotamnitzan.github.io/domain-expansion/.

Extrapolation remains a grand challenge in deep neural networks across all application domains. We propose an operator learning method to solve time-dependent partial differential equations (PDEs) continuously and with extrapolation in time without any temporal discretization. The proposed method, named Diffusion-inspired Temporal Transformer Operator (DiTTO), is inspired by latent diffusion models and their conditioning mechanism, which we use to incorporate the temporal evolution of the PDE, in combination with elements from the transformer architecture to improve its capabilities. Upon training, DiTTO can make inferences in real-time. We demonstrate its extrapolation capability on a climate problem by estimating the temperature around the globe for several years, and also in modeling hypersonic flows around a double-cone. We propose different training strategies involving temporal-bundling and sub-sampling and demonstrate performance improvements for several benchmarks, performing extrapolation for long time intervals as well as zero-shot super-resolution in time.

Position modeling plays a critical role in Transformers. In this paper, we focus on length extrapolation, i.e., training on short texts while evaluating longer sequences. We define attention resolution as an indicator of extrapolation. Then we propose two designs to improve the above metric of Transformers. Specifically, we introduce a relative position embedding to explicitly maximize attention resolution. Moreover, we use blockwise causal attention during inference for better resolution. We evaluate different Transformer variants with language modeling. Experimental results show that our model achieves strong performance in both interpolation and extrapolation settings. The code will be available at https://aka.ms/LeX-Transformer.

We present BlockFusion, a diffusion-based model that generates 3D scenes as unit blocks and seamlessly incorporates new blocks to extend the scene. BlockFusion is trained using datasets of 3D blocks that are randomly cropped from complete 3D scene meshes. Through per-block fitting, all training blocks are converted into the hybrid neural fields: with a tri-plane containing the geometry features, followed by a Multi-layer Perceptron (MLP) for decoding the signed distance values. A variational auto-encoder is employed to compress the tri-planes into the latent tri-plane space, on which the denoising diffusion process is performed. Diffusion applied to the latent representations allows for high-quality and diverse 3D scene generation. To expand a scene during generation, one needs only to append empty blocks to overlap with the current scene and extrapolate existing latent tri-planes to populate new blocks. The extrapolation is done by conditioning the generation process with the feature samples from the overlapping tri-planes during the denoising iterations. Latent tri-plane extrapolation produces semantically and geometrically meaningful transitions that harmoniously blend with the existing scene. A 2D layout conditioning mechanism is used to control the placement and arrangement of scene elements. Experimental results indicate that BlockFusion is capable of generating diverse, geometrically consistent and unbounded large 3D scenes with unprecedented high-quality shapes in both indoor and outdoor scenarios.

Despite advances, video diffusion transformers still struggle to generalize beyond their training length, a challenge we term video length extrapolation. We identify two failure modes: model-specific periodic content repetition and a universal quality degradation. Prior works attempt to solve repetition via positional encodings, overlooking quality degradation and achieving only limited extrapolation. In this paper, we revisit this challenge from a more fundamental view: attention maps, which directly govern how context influences outputs. We identify that both failure modes arise from a unified cause: attention dispersion, where tokens beyond the training window dilute learned attention patterns. This leads to quality degradation and repetition emerges as a special case when this dispersion becomes structured into periodic attention patterns, induced by harmonic properties of positional encodings. Building on this insight, we propose UltraViCo, a training-free, plug-and-play method that suppresses attention for tokens beyond the training window via a constant decay factor. By jointly addressing both failure modes, we outperform a broad set of baselines largely across models and extrapolation ratios, pushing the extrapolation limit from 2x to 4x. Remarkably, it improves Dynamic Degree and Imaging Quality by 233% and 40.5% over the previous best method at 4x extrapolation. Furthermore, our method generalizes seamlessly to downstream tasks such as controllable video synthesis and editing.

We propose ExtraNeRF, a novel method for extrapolating the range of views handled by a Neural Radiance Field (NeRF). Our main idea is to leverage NeRFs to model scene-specific, fine-grained details, while capitalizing on diffusion models to extrapolate beyond our observed data. A key ingredient is to track visibility to determine what portions of the scene have not been observed, and focus on reconstructing those regions consistently with diffusion models. Our primary contributions include a visibility-aware diffusion-based inpainting module that is fine-tuned on the input imagery, yielding an initial NeRF with moderate quality (often blurry) inpainted regions, followed by a second diffusion model trained on the input imagery to consistently enhance, notably sharpen, the inpainted imagery from the first pass. We demonstrate high-quality results, extrapolating beyond a small number of (typically six or fewer) input views, effectively outpainting the NeRF as well as inpainting newly disoccluded regions inside the original viewing volume. We compare with related work both quantitatively and qualitatively and show significant gains over prior art.

Transformers' ability to generalize to longer sequences than they have been trained on, known as length extrapolation, degrades as sequence length increases. Most of Relative Positional Encoding (RPE) methods address this problem by either adding constant linear biases or learning general biases, lacking the ability to specialize for different sequences. In this work, inspired by ALiBi, we propose Context-aware Biases for Length Extrapolation (Cable), that learns token-specific biases for each head in decoder-based transformers. Cable learns adaptive, context-aware biases, overcoming the limitations of fixed patterns by adding dynamic biases specific to each token in the sequence. Results show that when tested on a sequence length of 1024, a GPT-3 Medium (334M parameters) with our positional encoding, trained on a sequence length of 512, achieves better perplexity (-0.65) than a similar network with sinusoidal positional encoding trained on a sequence length of 1024. This is achieved with 48% lower memory usage, and only 3.5% higher training time. Furthermore, our method notably improves the extrapolation ability of existing RPE methods on the Edu-FineWeb10B and WikiText-103 datasets. Code is available at: https://github.com/axiomlab/Cable

We investigate large language model performance across five orders of magnitude of compute scaling in eleven recent model architectures. We show that average benchmark performance, aggregating over many individual tasks and evaluations as in the commonly-used BIG-Bench dataset, is decently predictable as a function of training compute scale. Specifically, when extrapolating BIG-Bench Hard performance across one order of magnitude in compute, we observe average absolute errors of 6 percentage points (pp). By contrast, extrapolation for individual BIG-Bench tasks across an order of magnitude in compute yields higher average errors of 18pp. Nonetheless, individual task performance remains significantly more predictable than chance. Overall, our work suggests compute scaling provides a promising basis to forecast AI capabilities in diverse benchmarks, though predicting performance in specific tasks poses challenges.

Domain generalization (DG) aims to learn a robust model from source domains that generalize well on unseen target domains. Recent studies focus on generating novel domain samples or features to diversify distributions complementary to source domains. Yet, these approaches can hardly deal with the restriction that the samples synthesized from various domains can cause semantic distortion. In this paper, we propose an online one-stage Cross Contrasting Feature Perturbation (CCFP) framework to simulate domain shift by generating perturbed features in the latent space while regularizing the model prediction against domain shift. Different from the previous fixed synthesizing strategy, we design modules with learnable feature perturbations and semantic consistency constraints. In contrast to prior work, our method does not use any generative-based models or domain labels. We conduct extensive experiments on a standard DomainBed benchmark with a strict evaluation protocol for a fair comparison. Comprehensive experiments show that our method outperforms the previous state-of-the-art, and quantitative analyses illustrate that our approach can alleviate the domain shift problem in out-of-distribution (OOD) scenarios.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

For improving image composition and aesthetic quality, most existing methods modulate the captured images by striking out redundant content near the image borders. However, such image cropping methods are limited in the range of image views. Some methods have been suggested to extrapolate the images and predict cropping boxes from the extrapolated image. Nonetheless, the synthesized extrapolated regions may be included in the cropped image, making the image composition result not real and potentially with degraded image quality. In this paper, we circumvent this issue by presenting a joint framework for both unbounded recommendation of camera view and image composition (i.e., UNIC). In this way, the cropped image is a sub-image of the image acquired by the predicted camera view, and thus can be guaranteed to be real and consistent in image quality. Specifically, our framework takes the current camera preview frame as input and provides a recommendation for view adjustment, which contains operations unlimited by the image borders, such as zooming in or out and camera movement. To improve the prediction accuracy of view adjustment prediction, we further extend the field of view by feature extrapolation. After one or several times of view adjustments, our method converges and results in both a camera view and a bounding box showing the image composition recommendation. Extensive experiments are conducted on the datasets constructed upon existing image cropping datasets, showing the effectiveness of our UNIC in unbounded recommendation of camera view and image composition. The source code, dataset, and pretrained models is available at https://github.com/liuxiaoyu1104/UNIC.

Rectified Flow Transformers (RFTs) offer superior training and inference efficiency, making them likely the most viable direction for scaling up diffusion models. However, progress in generation resolution has been relatively slow due to data quality and training costs. Tuning-free resolution extrapolation presents an alternative, but current methods often reduce generative stability, limiting practical application. In this paper, we review existing resolution extrapolation methods and introduce the I-Max framework to maximize the resolution potential of Text-to-Image RFTs. I-Max features: (i) a novel Projected Flow strategy for stable extrapolation and (ii) an advanced inference toolkit for generalizing model knowledge to higher resolutions. Experiments with Lumina-Next-2K and Flux.1-dev demonstrate I-Max's ability to enhance stability in resolution extrapolation and show that it can bring image detail emergence and artifact correction, confirming the practical value of tuning-free resolution extrapolation.

We introduce Domain-specific Masks for Generalization, a model for improving both in-domain and out-of-domain generalization performance. For domain generalization, the goal is to learn from a set of source domains to produce a single model that will best generalize to an unseen target domain. As such, many prior approaches focus on learning representations which persist across all source domains with the assumption that these domain agnostic representations will generalize well. However, often individual domains contain characteristics which are unique and when leveraged can significantly aid in-domain recognition performance. To produce a model which best generalizes to both seen and unseen domains, we propose learning domain specific masks. The masks are encouraged to learn a balance of domain-invariant and domain-specific features, thus enabling a model which can benefit from the predictive power of specialized features while retaining the universal applicability of domain-invariant features. We demonstrate competitive performance compared to naive baselines and state-of-the-art methods on both PACS and DomainNet.

Traditional cross-domain tasks, including domain adaptation and domain generalization, rely heavily on training model by source domain data. With the recent advance of vision-language models (VLMs), viewed as natural source models, the cross-domain task changes to directly adapt the pre-trained source model to arbitrary target domains equipped with prior domain knowledge, and we name this task Adaptive Domain Generalization (ADG). However, current cross-domain datasets have many limitations, such as unrealistic domains, unclear domain definitions, and the inability to fine-grained domain decomposition, which drives us to establish a novel dataset DomainVerse for ADG. Benefiting from the introduced hierarchical definition of domain shifts, DomainVerse consists of about 0.5 million images from 390 fine-grained realistic domains. With the help of the constructed DomainVerse and VLMs, we propose two methods called Domain CLIP and Domain++ CLIP for tuning-free adaptive domain generalization. Extensive and comprehensive experiments demonstrate the significance of the dataset and the effectiveness of the proposed methods.

Domain Generalization aims to develop models that can generalize to novel and unseen data distributions. In this work, we study how model architectures and pre-training objectives impact feature richness and propose a method to effectively leverage them for domain generalization. Specifically, given a pre-trained feature space, we first discover latent domain structures, referred to as pseudo-domains, that capture domain-specific variations in an unsupervised manner. Next, we augment existing classifiers with these complementary pseudo-domain representations making them more amenable to diverse unseen test domains. We analyze how different pre-training feature spaces differ in the domain-specific variances they capture. Our empirical studies reveal that features from diffusion models excel at separating domains in the absence of explicit domain labels and capture nuanced domain-specific information. On 5 datasets, we show that our very simple framework improves generalization to unseen domains by a maximum test accuracy improvement of over 4% compared to the standard baseline Empirical Risk Minimization (ERM). Crucially, our method outperforms most algorithms that access domain labels during training.

Modern large language models (LLMs) that rely on attention mechanisms are typically trained with fixed context lengths which enforce upper limits on the length of input sequences that they can handle at evaluation time. To use these models on sequences longer than the train-time context length, one might employ techniques from the growing family of context length extrapolation methods -- most of which focus on modifying the system of positional encodings used in the attention mechanism to indicate where tokens or activations are located in the input sequence. We conduct a wide survey of existing methods of context length extrapolation on a base LLaMA or LLaMA 2 model, and introduce some of our own design as well -- in particular, a new truncation strategy for modifying the basis for the position encoding. We test these methods using three new evaluation tasks (FreeFormQA, AlteredNumericQA, and LongChat-Lines) as well as perplexity, which we find to be less fine-grained as a measure of long context performance of LLMs. We release the three tasks publicly as datasets on HuggingFace. We discover that linear scaling is the best method for extending context length, and show that further gains can be achieved by using longer scales at evaluation time. We also discover promising extrapolation capabilities in the truncated basis. To support further research in this area, we release three new 13B parameter long-context models which we call Giraffe: 4k and 16k context models trained from base LLaMA-13B, and a 32k context model trained from base LLaMA2-13B. We also release the code to replicate our results.

Transformer-based Large Language Models (LLMs) are pioneering advances in many natural language processing tasks, however, their exceptional capabilities are restricted within the preset context window of Transformer. Position Embedding (PE) scaling methods, while effective in extending the context window to a specific length, demonstrate either notable limitations in their extrapolation abilities or sacrificing partial performance within the context window. Length extrapolation methods, although theoretically capable of extending the context window beyond the training sequence length, often underperform in practical long-context applications. To address these challenges, we propose Continuous Length EXtrapolation (CLEX) for LLMs. We generalise the PE scaling approaches to model the continuous dynamics by ordinary differential equations over the length scaling factor, thereby overcoming the constraints of current PE scaling methods designed for specific lengths. Moreover, by extending the dynamics to desired context lengths beyond the training sequence length, CLEX facilitates the length extrapolation with impressive performance in practical tasks. We demonstrate that CLEX can be seamlessly incorporated into LLMs equipped with Rotary Position Embedding, such as LLaMA and GPT-NeoX, with negligible impact on training and inference latency. Experimental results reveal that CLEX can effectively extend the context window to over 4x or almost 8x training length, with no deterioration in performance. Furthermore, when evaluated on the practical LongBench benchmark, our model trained on a 4k length exhibits competitive performance against state-of-the-art open-source models trained on context lengths up to 32k.

The attention mechanism in a Transformer architecture matches key to query based on both content -- the what -- and position in a sequence -- the where. We present an analysis indicating that what and where are entangled in the popular RoPE rotary position embedding. This entanglement can impair performance particularly when decisions require independent matches on these two factors. We propose an improvement to RoPE, which we call Polar Coordinate Position Embeddings or PoPE, that eliminates the what-where confound. PoPE is far superior on a diagnostic task requiring indexing solely by position or by content. On autoregressive sequence modeling in music, genomic, and natural language domains, Transformers using PoPE as the positional encoding scheme outperform baselines using RoPE with respect to evaluation loss (perplexity) and downstream task performance. On language modeling, these gains persist across model scale, from 124M to 774M parameters. Crucially, PoPE shows strong zero-shot length extrapolation capabilities compared not only to RoPE but even a method designed for extrapolation, YaRN, which requires additional fine tuning and frequency interpolation.

The objective of domain generalization (DG) is to enhance the transferability of the model learned from a source domain to unobserved domains. To prevent overfitting to a specific domain, Sharpness-Aware Minimization (SAM) reduces source domain's loss sharpness. Although SAM variants have delivered significant improvements in DG, we highlight that there's still potential for improvement in generalizing to unknown domains through the exploration on data space. This paper introduces an objective rooted in both parameter and data perturbed regions for domain generalization, coined Unknown Domain Inconsistency Minimization (UDIM). UDIM reduces the loss landscape inconsistency between source domain and unknown domains. As unknown domains are inaccessible, these domains are empirically crafted by perturbing instances from the source domain dataset. In particular, by aligning the loss landscape acquired in the source domain to the loss landscape of perturbed domains, we expect to achieve generalization grounded on these flat minima for the unknown domains. Theoretically, we validate that merging SAM optimization with the UDIM objective establishes an upper bound for the true objective of the DG task. In an empirical aspect, UDIM consistently outperforms SAM variants across multiple DG benchmark datasets. Notably, UDIM shows statistically significant improvements in scenarios with more restrictive domain information, underscoring UDIM's generalization capability in unseen domains. Our code is available at https://github.com/SJShin-AI/UDIM.

As the rapid progression of practical applications based on Large Language Models continues, the importance of extrapolating performance has grown exponentially in the research domain. In our study, we identified an anomalous behavior in Transformer models that had been previously overlooked, leading to a chaos around closest tokens which carried the most important information. We've coined this discovery the "headache of Transformers". To address this at its core, we introduced a novel self-attention structure named Collinear Constrained Attention (CoCA). This structure can be seamlessly integrated with existing extrapolation, interpolation methods, and other optimization strategies designed for traditional Transformer models. We have achieved excellent extrapolating performance even for 16 times to 24 times of sequence lengths during inference without any fine-tuning on our model. We have also enhanced CoCA's computational and spatial efficiency to ensure its practicality. We plan to open-source CoCA shortly. In the meantime, we've made our code available in the appendix for reappearing experiments.

Large foundation models are typically trained on data from multiple domains, with the data mixture--the proportion of each domain used--playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h. We validate the universality of these scaling laws by demonstrating their predictive power in three distinct and large-scale settings: large language model (LLM), native multimodal model (NMM), and large vision models (LVM) pretraining. We further show that these scaling laws can extrapolate to new data mixtures and across scales: their parameters can be accurately estimated using a few small-scale training runs, and used to estimate the performance at larger scales and unseen domain weights. The scaling laws allow to derive the optimal domain weights for any target domain under a given training budget (N,D), providing a principled alternative to costly trial-and-error methods.

Photorealistic simulators are essential for the training and evaluation of vision-centric autonomous vehicles (AVs). At their core is Novel View Synthesis (NVS), a crucial capability that generates diverse unseen viewpoints to accommodate the broad and continuous pose distribution of AVs. Recent advances in radiance fields, such as 3D Gaussian Splatting, achieve photorealistic rendering at real-time speeds and have been widely used in modeling large-scale driving scenes. However, their performance is commonly evaluated using an interpolated setup with highly correlated training and test views. In contrast, extrapolation, where test views largely deviate from training views, remains underexplored, limiting progress in generalizable simulation technology. To address this gap, we leverage publicly available AV datasets with multiple traversals, multiple vehicles, and multiple cameras to build the first Extrapolated Urban View Synthesis (EUVS) benchmark. Meanwhile, we conduct quantitative and qualitative evaluations of state-of-the-art Gaussian Splatting methods across different difficulty levels. Our results show that Gaussian Splatting is prone to overfitting to training views. Besides, incorporating diffusion priors and improving geometry cannot fundamentally improve NVS under large view changes, highlighting the need for more robust approaches and large-scale training. We have released our data to help advance self-driving and urban robotics simulation technology.

Large Language Diffusion Models, or diffusion LLMs, have emerged as a significant focus in NLP research, with substantial effort directed toward understanding their scalability and downstream task performance. However, their long-context capabilities remain unexplored, lacking systematic analysis or methods for context extension. In this work, we present the first systematic investigation comparing the long-context performance of diffusion LLMs and traditional auto-regressive LLMs. We first identify a unique characteristic of diffusion LLMs, unlike auto-regressive LLMs, they maintain remarkably \textit{stable perplexity} during direct context extrapolation. Furthermore, where auto-regressive models fail outright during the Needle-In-A-Haystack task with context exceeding their pretrained length, we discover diffusion LLMs exhibit a distinct \textit{local perception} phenomenon, enabling successful retrieval from recent context segments. We explain both phenomena through the lens of Rotary Position Embedding (RoPE) scaling theory. Building on these observations, we propose LongLLaDA, a training-free method that integrates LLaDA with the NTK-based RoPE extrapolation. Our results validate that established extrapolation scaling laws remain effective for extending the context windows of diffusion LLMs. Furthermore, we identify long-context tasks where diffusion LLMs outperform auto-regressive LLMs and others where they fall short. Consequently, this study establishes the first context extrapolation method for diffusion LLMs while providing essential theoretical insights and empirical benchmarks critical for advancing future research on long-context diffusion LLMs.

Models trained on one set of domains often suffer performance drops on unseen domains, e.g., when wildlife monitoring models are deployed in new camera locations. In this work, we study principles for designing data augmentations for out-of-domain (OOD) generalization. In particular, we focus on real-world scenarios in which some domain-dependent features are robust, i.e., some features that vary across domains are predictive OOD. For example, in the wildlife monitoring application above, image backgrounds vary across camera locations but indicate habitat type, which helps predict the species of photographed animals. Motivated by theoretical analysis on a linear setting, we propose targeted augmentations, which selectively randomize spurious domain-dependent features while preserving robust ones. We prove that targeted augmentations improve OOD performance, allowing models to generalize better with fewer domains. In contrast, existing approaches such as generic augmentations, which fail to randomize domain-dependent features, and domain-invariant augmentations, which randomize all domain-dependent features, both perform poorly OOD. In experiments on three real-world datasets, we show that targeted augmentations set new states-of-the-art for OOD performance by 3.2-15.2%.

Pretraining datasets for large language models (LLMs) have grown to trillions of tokens composed of large amounts of CommonCrawl (CC) web scrape along with smaller, domain-specific datasets. It is expensive to understand the impact of these domain-specific datasets on model capabilities as training at large FLOP scales is required to reveal significant changes to difficult and emergent benchmarks. Given the increasing cost of experimenting with pretraining data, how does one determine the optimal balance between the diversity in general web scrapes and the information density of domain specific data? In this work, we show how to leverage the smaller domain specific datasets by upsampling them relative to CC at the end of training to drive performance improvements on difficult benchmarks. This simple technique allows us to improve up to 6.90 pp on MMLU, 8.26 pp on GSM8K, and 6.17 pp on HumanEval relative to the base data mix for a 7B model trained for 1 trillion (T) tokens, thus rivaling Llama-2 (7B)x2014a model trained for twice as long. We experiment with ablating the duration of domain upsampling from 5% to 30% of training and find that 10% to 20% percent is optimal for navigating the tradeoff between general language modeling capabilities and targeted benchmarks. We also use domain upsampling to characterize at scale the utility of individual datasets for improving various benchmarks by removing them during this final phase of training. This tool opens up the ability to experiment with the impact of different pretraining datasets at scale, but at an order of magnitude lower cost compared to full pretraining runs.

Although the capabilities of large language models (LLMs) ideally scale up with increasing data and compute, they are inevitably constrained by limited resources in reality. Suppose we have a moderately trained LLM (e.g., trained to align with human preference) in hand, can we further exploit its potential and cheaply acquire a stronger model? In this paper, we propose a simple method called ExPO to boost LLMs' alignment with human preference. ExPO assumes that a medium-aligned model can be interpolated between a less-aligned (weaker) model, e.g., the initial SFT model, and a better-aligned (stronger) one, thereby directly obtaining this stronger model by extrapolating from the weights of the former two relatively weaker models. On the AlpacaEval 2.0 benchmark, we show that ExPO pushes models trained with less preference data (e.g., 10% or 20%) to reach and even surpass the fully-trained one, without any additional training. Furthermore, ExPO also significantly improves off-the-shelf DPO/RLHF models and exhibits decent scalability across model sizes from 7B to 70B. Our work demonstrates the efficacy of model extrapolation in exploiting LLMs' capabilities, suggesting a promising direction that deserves future exploration.

Image-to-Video (I2V) generation aims to synthesize a video clip according to a given image and condition (e.g., text). The key challenge of this task lies in simultaneously generating natural motions while preserving the original appearance of the images. However, current I2V diffusion models (I2V-DMs) often produce videos with limited motion degrees or exhibit uncontrollable motion that conflicts with the textual condition. To address these limitations, we propose a novel Extrapolating and Decoupling framework, which introduces model merging techniques to the I2V domain for the first time. Specifically, our framework consists of three separate stages: (1) Starting with a base I2V-DM, we explicitly inject the textual condition into the temporal module using a lightweight, learnable adapter and fine-tune the integrated model to improve motion controllability. (2) We introduce a training-free extrapolation strategy to amplify the dynamic range of the motion, effectively reversing the fine-tuning process to enhance the motion degree significantly. (3) With the above two-stage models excelling in motion controllability and degree, we decouple the relevant parameters associated with each type of motion ability and inject them into the base I2V-DM. Since the I2V-DM handles different levels of motion controllability and dynamics at various denoising time steps, we adjust the motion-aware parameters accordingly over time. Extensive qualitative and quantitative experiments have been conducted to demonstrate the superiority of our framework over existing methods.

Recent advancements in differentiable rendering and 3D reasoning have driven exciting results in novel view synthesis from a single image. Despite realistic results, methods are limited to relatively small view change. In order to synthesize immersive scenes, models must also be able to extrapolate. We present an approach that fuses 3D reasoning with autoregressive modeling to outpaint large view changes in a 3D-consistent manner, enabling scene synthesis. We demonstrate considerable improvement in single image large-angle view synthesis results compared to a variety of methods and possible variants across simulated and real datasets. In addition, we show increased 3D consistency compared to alternative accumulation methods. Project website: https://crockwell.github.io/pixelsynth/

We present Position Interpolation (PI) that extends the context window sizes of RoPE-based pretrained LLMs such as LLaMA models to up to 32768 with minimal fine-tuning (within 1000 steps), while demonstrating strong empirical results on various tasks that require long context, including passkey retrieval, language modeling, and long document summarization from LLaMA 7B to 65B. Meanwhile, the extended model by Position Interpolation preserve quality relatively well on tasks within its original context window. To achieve this goal, Position Interpolation linearly down-scales the input position indices to match the original context window size, rather than extrapolating beyond the trained context length which may lead to catastrophically high attention scores that completely ruin the self-attention mechanism. Our theoretical study shows that the upper bound of interpolation is at least sim 600 times smaller than that of extrapolation, further demonstrating its stability. Models extended via Position Interpolation retain its original architecture and can reuse most pre-existing optimization and infrastructure.

Domain Generalization (DG) is a challenging task in machine learning that requires a coherent ability to comprehend shifts across various domains through extraction of domain-invariant features. DG performance is typically evaluated by performing image classification in domains of various image styles. However, current methodology lacks quantitative understanding about shifts in stylistic domain, and relies on a vast amount of pre-training data, such as ImageNet1K, which are predominantly in photo-realistic style with weakly supervised class labels. Such a data-driven practice could potentially result in spurious correlation and inflated performance on DG benchmarks. In this paper, we introduce a new DG paradigm to address these risks. We first introduce two new quantitative measures ICV and IDD to describe domain shifts in terms of consistency of classes within one domain and similarity between two stylistic domains. We then present SuperMarioDomains (SMD), a novel synthetic multi-domain dataset sampled from video game scenes with more consistent classes and sufficient dissimilarity compared to ImageNet1K. We demonstrate our DG method SMOS. SMOS first uses SMD to train a precursor model, which is then used to ground the training on a DG benchmark. We observe that SMOS contributes to state-of-the-art performance across five DG benchmarks, gaining large improvements to performances on abstract domains along with on-par or slight improvements to those on photo-realistic domains. Our qualitative analysis suggests that these improvements can be attributed to reduced distributional divergence between originally distant domains. Our data are available at https://github.com/fpsluozi/SMD-SMOS .

Domain generalization (DG) aims to learn domain-generalizable models from one or multiple source domains that can perform well in unseen target domains. Despite its recent progress, most existing work suffers from the misalignment between the difficulty level of training samples and the capability of contemporarily trained models, leading to over-fitting or under-fitting in the trained generalization model. We design MoDify, a Momentum Difficulty framework that tackles the misalignment by balancing the seesaw between the model's capability and the samples' difficulties along the training process. MoDify consists of two novel designs that collaborate to fight against the misalignment while learning domain-generalizable models. The first is MoDify-based Data Augmentation which exploits an RGB Shuffle technique to generate difficulty-aware training samples on the fly. The second is MoDify-based Network Optimization which dynamically schedules the training samples for balanced and smooth learning with appropriate difficulty. Without bells and whistles, a simple implementation of MoDify achieves superior performance across multiple benchmarks. In addition, MoDify can complement existing methods as a plug-in, and it is generic and can work for different visual recognition tasks.

Single domain generalization aims to learn a model from a single training domain (source domain) and apply it to multiple unseen test domains (target domains). Existing methods focus on expanding the distribution of the training domain to cover the target domains, but without estimating the domain shift between the source and target domains. In this paper, we propose a new learning paradigm, namely simulate-analyze-reduce, which first simulates the domain shift by building an auxiliary domain as the target domain, then learns to analyze the causes of domain shift, and finally learns to reduce the domain shift for model adaptation. Under this paradigm, we propose a meta-causal learning method to learn meta-knowledge, that is, how to infer the causes of domain shift between the auxiliary and source domains during training. We use the meta-knowledge to analyze the shift between the target and source domains during testing. Specifically, we perform multiple transformations on source data to generate the auxiliary domain, perform counterfactual inference to learn to discover the causal factors of the shift between the auxiliary and source domains, and incorporate the inferred causality into factor-aware domain alignments. Extensive experiments on several benchmarks of image classification show the effectiveness of our method.

Recognizing the prevalence of domain shift as a common challenge in machine learning, various domain generalization (DG) techniques have been developed to enhance the performance of machine learning systems when dealing with out-of-distribution (OOD) data. Furthermore, in real-world scenarios, data distributions can gradually change across a sequence of sequential domains. While current methodologies primarily focus on improving model effectiveness within these new domains, they often overlook fairness issues throughout the learning process. In response, we introduce an innovative framework called Counterfactual Fairness-Aware Domain Generalization with Sequential Autoencoder (CDSAE). This approach effectively separates environmental information and sensitive attributes from the embedded representation of classification features. This concurrent separation not only greatly improves model generalization across diverse and unfamiliar domains but also effectively addresses challenges related to unfair classification. Our strategy is rooted in the principles of causal inference to tackle these dual issues. To examine the intricate relationship between semantic information, sensitive attributes, and environmental cues, we systematically categorize exogenous uncertainty factors into four latent variables: 1) semantic information influenced by sensitive attributes, 2) semantic information unaffected by sensitive attributes, 3) environmental cues influenced by sensitive attributes, and 4) environmental cues unaffected by sensitive attributes. By incorporating fairness regularization, we exclusively employ semantic information for classification purposes. Empirical validation on synthetic and real-world datasets substantiates the effectiveness of our approach, demonstrating improved accuracy levels while ensuring the preservation of fairness in the evolving landscape of continuous domains.

We study the degree of reliability of extrapolation of complex electromagnetic permittivity functions based on their analyticity properties. Given two analytic functions, representing extrapolants of the same experimental data, we examine how much they can differ at an extrapolation point outside of the experimentally accessible frequency band. We give a sharp upper bound on the worst case extrapolation error, in terms of a solution of an integral equation of Fredholm type. We conjecture and give numerical evidence that this bound exhibits a power law precision deterioration as one moves further away from the frequency band containing measurement data.

Distribution shift presents a significant challenge in machine learning, where models often underperform during the test stage when faced with a different distribution than the one they were trained on. This paper focuses on domain shifts, which occur when the model is applied to new domains that are different from the ones it was trained on, and propose a new approach called D^3G. Unlike previous methods that aim to learn a single model that is domain invariant, D^3G leverages domain similarities based on domain metadata to learn domain-specific models. Concretely, D^3G learns a set of training-domain-specific functions during the training stage and reweights them based on domain relations during the test stage. These domain relations can be directly obtained and learned from domain metadata. Under mild assumptions, we theoretically prove that using domain relations to reweight training-domain-specific functions achieves stronger out-of-domain generalization compared to the conventional averaging approach. Empirically, we evaluate the effectiveness of D^3G using real-world datasets for tasks such as temperature regression, land use classification, and molecule-protein binding affinity prediction. Our results show that D^3G consistently outperforms state-of-the-art methods.

Large language models (LLMs) are commonly trained on multi-domain datasets, where domain sampling strategies significantly impact model performance due to varying domain importance across downstream tasks. Existing approaches for optimizing domain-level sampling strategies struggle with maintaining intra-domain consistency and accurately measuring domain impact. In this paper, we present Domain Impact-aware Data Sampling (DIDS). To ensure intra-domain consistency, a gradient clustering algorithm is proposed to group training data based on their learning effects, where a proxy language model and dimensionality reduction are employed to reduce computational overhead. To accurately measure domain impact, we develop a Fisher Information Matrix (FIM) guided metric that quantifies how domain-specific parameter updates affect the model's output distributions on downstream tasks, with theoretical guarantees. Furthermore, to determine optimal sampling ratios, DIDS combines both the FIM-guided domain impact assessment and loss learning trajectories that indicate domain-specific potential, while accounting for diminishing marginal returns. Extensive experiments demonstrate that DIDS achieves 3.4% higher average performance while maintaining comparable training efficiency.

Recent domain generalization (DG) approaches typically use the hypothesis learned on source domains for inference on the unseen target domain. However, such a hypothesis can be arbitrarily far from the optimal one for the target domain, induced by a gap termed ``adaptivity gap''. Without exploiting the domain information from the unseen test samples, adaptivity gap estimation and minimization are intractable, which hinders us to robustify a model to any unknown distribution. In this paper, we first establish a generalization bound that explicitly considers the adaptivity gap. Our bound motivates two strategies to reduce the gap: the first one is ensembling multiple classifiers to enrich the hypothesis space, then we propose effective gap estimation methods for guiding the selection of a better hypothesis for the target. The other method is minimizing the gap directly by adapting model parameters using online target samples. We thus propose Domain-specific Risk Minimization (DRM). During training, DRM models the distributions of different source domains separately; for inference, DRM performs online model steering using the source hypothesis for each arriving target sample. Extensive experiments demonstrate the effectiveness of the proposed DRM for domain generalization with the following advantages: 1) it significantly outperforms competitive baselines on different distributional shift settings; 2) it achieves either comparable or superior accuracies on all source domains compared to vanilla empirical risk minimization; 3) it remains simple and efficient during training, and 4) it is complementary to invariant learning approaches.

A key challenge in Domain Generalization (DG) is preventing overfitting to source domains, which can be mitigated by finding flatter minima in the loss landscape. In this work, we propose Quantization-aware Training for Domain Generalization (QT-DoG) and demonstrate that weight quantization effectively leads to flatter minima in the loss landscape, thereby enhancing domain generalization. Unlike traditional quantization methods focused on model compression, QT-DoG exploits quantization as an implicit regularizer by inducing noise in model weights, guiding the optimization process toward flatter minima that are less sensitive to perturbations and overfitting. We provide both an analytical perspective and empirical evidence demonstrating that quantization inherently encourages flatter minima, leading to better generalization across domains. Moreover, with the benefit of reducing the model size through quantization, we demonstrate that an ensemble of multiple quantized models further yields superior accuracy than the state-of-the-art DG approaches with no computational or memory overheads. Code is released at: https://saqibjaved1.github.io/QT_DoG/.

Traditional direct estimation methods are not efficient for domains of a survey population with small sample sizes. To estimate the domain proportions, we combine the direct estimators and the regression-synthetic estimators based on domain-level auxiliary information. For the case of small true proportions, we introduce the design-based linear combination that is a robust alternative to the empirical best linear unbiased predictor (EBLUP) based on the Fay--Herriot model. We also consider an adaptive procedure optimizing a sample-size-dependent composite estimator, which depends on a single parameter for all domains. We imitate the Lithuanian Labor Force Survey, where we estimate the proportions of the unemployed and employed in municipalities. We show where the considered design-based compositions and estimators of their mean square errors are competitive for EBLUP and its accuracy estimation.

Self-supervised learning of speech representations has been a very active research area but most work is focused on a single domain such as read audio books for which there exist large quantities of labeled and unlabeled data. In this paper, we explore more general setups where the domain of the unlabeled data for pre-training data differs from the domain of the labeled data for fine-tuning, which in turn may differ from the test data domain. Our experiments show that using target domain data during pre-training leads to large performance improvements across a variety of setups. On a large-scale competitive setup, we show that pre-training on unlabeled in-domain data reduces the gap between models trained on in-domain and out-of-domain labeled data by 66%-73%. This has obvious practical implications since it is much easier to obtain unlabeled target domain data than labeled data. Moreover, we find that pre-training on multiple domains improves generalization performance on domains not seen during training. Code and models will be made available at https://github.com/pytorch/fairseq.

Generalizing to out-of-distribution (OOD) data or unseen domain, termed OOD generalization, still lacks appropriate theoretical guarantees. Canonical OOD bounds focus on different distance measurements between source and target domains but fail to consider the optimization property of the learned model. As empirically shown in recent work, the sharpness of learned minima influences OOD generalization. To bridge this gap between optimization and OOD generalization, we study the effect of sharpness on how a model tolerates data change in domain shift which is usually captured by "robustness" in generalization. In this paper, we give a rigorous connection between sharpness and robustness, which gives better OOD guarantees for robust algorithms. It also provides a theoretical backing for "flat minima leads to better OOD generalization". Overall, we propose a sharpness-based OOD generalization bound by taking robustness into consideration, resulting in a tighter bound than non-robust guarantees. Our findings are supported by the experiments on a ridge regression model, as well as the experiments on deep learning classification tasks.

Length extrapolation algorithms based on Rotary position embedding (RoPE) have shown promising results in extending the context length of language models. However, understanding how position embedding can capture longer-range contextual information remains elusive. Based on the intuition that different dimensions correspond to different frequency of changes in RoPE encoding, we conducted a dimension-level analysis to investigate the correlation between a hidden dimension of an attention head and its contribution to capturing long-distance dependencies. Using our correlation metric, we identified a particular type of attention heads, which we named Positional Heads, from various length-extrapolated models. These heads exhibit a strong focus on long-range information interaction and play a pivotal role in long input processing, as evidence by our ablation. We further demonstrate the correlation between the efficiency of length extrapolation and the extension of the high-dimensional attention allocation of these heads. The identification of Positional Heads provides insights for future research in long-text comprehension.

Transformers, central to the successes in modern Natural Language Processing, often falter on arithmetic tasks despite their vast capabilities --which paradoxically include remarkable coding abilities. We observe that a crucial challenge is their naive reliance on positional information to solve arithmetic problems with a small number of digits, leading to poor performance on larger numbers. Herein, we delve deeper into the role of positional encoding, and propose several ways to fix the issue, either by modifying the positional encoding directly, or by modifying the representation of the arithmetic task to leverage standard positional encoding differently. We investigate the value of these modifications for three tasks: (i) classical multiplication, (ii) length extrapolation in addition, and (iii) addition in natural language context. For (i) we train a small model on a small dataset (100M parameters and 300k samples) with remarkable aptitude in (direct, no scratchpad) 15 digits multiplication and essentially perfect up to 12 digits, while usual training in this context would give a model failing at 4 digits multiplication. In the experiments on addition, we use a mere 120k samples to demonstrate: for (ii) extrapolation from 10 digits to testing on 12 digits numbers while usual training would have no extrapolation, and for (iii) almost perfect accuracy up to 5 digits while usual training would be correct only up to 3 digits (which is essentially memorization with a training set of 120k samples).

Can we build continuous generative models which generalize across scales, can be evaluated at any coordinate, admit calculation of exact derivatives, and are conceptually simple? Existing MLP-based architectures generate worse samples than the grid-based generators with favorable convolutional inductive biases. Models that focus on generating images at different scales do better, but employ complex architectures not designed for continuous evaluation of images and derivatives. We take a signal-processing perspective and treat continuous image generation as interpolation from samples. Indeed, correctly sampled discrete images contain all information about the low spatial frequencies. The question is then how to extrapolate the spectrum in a data-driven way while meeting the above design criteria. Our answer is FunkNN -- a new convolutional network which learns how to reconstruct continuous images at arbitrary coordinates and can be applied to any image dataset. Combined with a discrete generative model it becomes a functional generator which can act as a prior in continuous ill-posed inverse problems. We show that FunkNN generates high-quality continuous images and exhibits strong out-of-distribution performance thanks to its patch-based design. We further showcase its performance in several stylized inverse problems with exact spatial derivatives.

Diffusion Transformer models can generate images with remarkable fidelity and detail, yet training them at ultra-high resolutions remains extremely costly due to the self-attention mechanism's quadratic scaling with the number of image tokens. In this paper, we introduce Dynamic Position Extrapolation (DyPE), a novel, training-free method that enables pre-trained diffusion transformers to synthesize images at resolutions far beyond their training data, with no additional sampling cost. DyPE takes advantage of the spectral progression inherent to the diffusion process, where low-frequency structures converge early, while high-frequencies take more steps to resolve. Specifically, DyPE dynamically adjusts the model's positional encoding at each diffusion step, matching their frequency spectrum with the current stage of the generative process. This approach allows us to generate images at resolutions that exceed the training resolution dramatically, e.g., 16 million pixels using FLUX. On multiple benchmarks, DyPE consistently improves performance and achieves state-of-the-art fidelity in ultra-high-resolution image generation, with gains becoming even more pronounced at higher resolutions. Project page is available at https://noamissachar.github.io/DyPE/.

In the realm of self-supervised learning (SSL), conventional wisdom has gravitated towards the utility of massive, general domain datasets for pretraining robust backbones. In this paper, we challenge this idea by exploring if it is possible to bridge the scale between general-domain datasets and (traditionally smaller) domain-specific datasets to reduce the current performance gap. More specifically, we propose Precision at Scale (PaS), a novel method for the autonomous creation of domain-specific datasets on-demand. The modularity of the PaS pipeline enables leveraging state-of-the-art foundational and generative models to create a collection of images of any given size belonging to any given domain with minimal human intervention. Extensive analysis in two complex domains, proves the superiority of PaS datasets over existing traditional domain-specific datasets in terms of diversity, scale, and effectiveness in training visual transformers and convolutional neural networks. Most notably, we prove that automatically generated domain-specific datasets lead to better pretraining than large-scale supervised datasets such as ImageNet-1k and ImageNet-21k. Concretely, models trained on domain-specific datasets constructed by PaS pipeline, beat ImageNet-1k pretrained backbones by at least 12% in all the considered domains and classification tasks and lead to better food domain performance than supervised ImageNet-21k pretrain while being 12 times smaller. Code repository: https://github.com/jesusmolrdv/Precision-at-Scale/

Many problems in astrophysics cover multiple orders of magnitude in spatial and temporal scales. While simulating systems that experience rapid changes in these conditions, it is essential to adapt the (time-) step size to capture the behavior of the system during those rapid changes and use a less accurate time step at other, less demanding, moments. We encounter three problems with traditional methods. Firstly, making such changes requires expert knowledge of the astrophysics as well as of the details of the numerical implementation. Secondly, some parameters that determine the time-step size are fixed throughout the simulation, which means that they do not adapt to the rapidly changing conditions of the problem. Lastly, we would like the choice of time-step size to balance accuracy and computation effort. We address these challenges with Reinforcement Learning by training it to select the time-step size dynamically. We use the integration of a system of three equal-mass bodies that move due to their mutual gravity as an example of its application. With our method, the selected integration parameter adapts to the specific requirements of the problem, both in terms of computation time and accuracy while eliminating the expert knowledge needed to set up these simulations. Our method produces results competitive to existing methods and improve the results found with the most commonly-used values of time-step parameter. This method can be applied to other integrators without further retraining. We show that this extrapolation works for variable time-step integrators but does not perform to the desired accuracy for fixed time-step integrators.

Continual Pre-Training (CPT) on Large Language Models (LLMs) has been widely used to expand the model's fundamental understanding of specific downstream domains (e.g., math and code). For the CPT on domain-specific LLMs, one important question is how to choose the optimal mixture ratio between the general-corpus (e.g., Dolma, Slim-pajama) and the downstream domain-corpus. Existing methods usually adopt laborious human efforts by grid-searching on a set of mixture ratios, which require high GPU training consumption costs. Besides, we cannot guarantee the selected ratio is optimal for the specific domain. To address the limitations of existing methods, inspired by the Scaling Law for performance prediction, we propose to investigate the Scaling Law of the Domain-specific Continual Pre-Training (D-CPT Law) to decide the optimal mixture ratio with acceptable training costs for LLMs of different sizes. Specifically, by fitting the D-CPT Law, we can easily predict the general and downstream performance of arbitrary mixture ratios, model sizes, and dataset sizes using small-scale training costs on limited experiments. Moreover, we also extend our standard D-CPT Law on cross-domain settings and propose the Cross-Domain D-CPT Law to predict the D-CPT law of target domains, where very small training costs (about 1% of the normal training costs) are needed for the target domains. Comprehensive experimental results on six downstream domains demonstrate the effectiveness and generalizability of our proposed D-CPT Law and Cross-Domain D-CPT Law.

High-resolution images offer more information about scenes that can improve model accuracy. However, the dominant model architecture in computer vision, the vision transformer (ViT), cannot effectively leverage larger images without finetuning -- ViTs poorly extrapolate to more patches at test time, although transformers offer sequence length flexibility. We attribute this shortcoming to the current patch position encoding methods, which create a distribution shift when extrapolating. We propose a drop-in replacement for the position encoding of plain ViTs that restricts attention heads to fixed fields of view, pointed in different directions, using 2D attention masks. Our novel method, called LookHere, provides translation-equivariance, ensures attention head diversity, and limits the distribution shift that attention heads face when extrapolating. We demonstrate that LookHere improves performance on classification (avg. 1.6%), against adversarial attack (avg. 5.4%), and decreases calibration error (avg. 1.5%) -- on ImageNet without extrapolation. With extrapolation, LookHere outperforms the current SoTA position encoding method, 2D-RoPE, by 21.7% on ImageNet when trained at 224^2 px and tested at 1024^2 px. Additionally, we release a high-resolution test set to improve the evaluation of high-resolution image classifiers, called ImageNet-HR.

Self-supervised learning excels in learning representations from large amounts of unlabeled data, demonstrating success across multiple data modalities. Yet, extending self-supervised learning to new modalities is non-trivial because the specifics of existing methods are tailored to each domain, such as domain-specific augmentations which reflect the invariances in the target task. While masked modeling is promising as a domain-agnostic framework for self-supervised learning because it does not rely on input augmentations, its mask sampling procedure remains domain-specific. We present Self-guided Masked Autoencoders (SMA), a fully domain-agnostic masked modeling method. SMA trains an attention based model using a masked modeling objective, by learning masks to sample without any domain-specific assumptions. We evaluate SMA on three self-supervised learning benchmarks in protein biology, chemical property prediction, and particle physics. We find SMA is capable of learning representations without domain-specific knowledge and achieves state-of-the-art performance on these three benchmarks.

The field of novel view synthesis has made significant strides thanks to the development of radiance field methods. However, most radiance field techniques are far better at novel view interpolation than novel view extrapolation where the synthesis novel views are far beyond the observed training views. We design ViewExtrapolator, a novel view synthesis approach that leverages the generative priors of Stable Video Diffusion (SVD) for realistic novel view extrapolation. By redesigning the SVD denoising process, ViewExtrapolator refines the artifact-prone views rendered by radiance fields, greatly enhancing the clarity and realism of the synthesized novel views. ViewExtrapolator is a generic novel view extrapolator that can work with different types of 3D rendering such as views rendered from point clouds when only a single view or monocular video is available. Additionally, ViewExtrapolator requires no fine-tuning of SVD, making it both data-efficient and computation-efficient. Extensive experiments demonstrate the superiority of ViewExtrapolator in novel view extrapolation. Project page: https://kunhao-liu.github.io/ViewExtrapolator/.

The problem of domain generalization is to learn from multiple training domains, and extract a domain-agnostic model that can then be applied to an unseen domain. Domain generalization (DG) has a clear motivation in contexts where there are target domains with distinct characteristics, yet sparse data for training. For example recognition in sketch images, which are distinctly more abstract and rarer than photos. Nevertheless, DG methods have primarily been evaluated on photo-only benchmarks focusing on alleviating the dataset bias where both problems of domain distinctiveness and data sparsity can be minimal. We argue that these benchmarks are overly straightforward, and show that simple deep learning baselines perform surprisingly well on them. In this paper, we make two main contributions: Firstly, we build upon the favorable domain shift-robust properties of deep learning methods, and develop a low-rank parameterized CNN model for end-to-end DG learning. Secondly, we develop a DG benchmark dataset covering photo, sketch, cartoon and painting domains. This is both more practically relevant, and harder (bigger domain shift) than existing benchmarks. The results show that our method outperforms existing DG alternatives, and our dataset provides a more significant DG challenge to drive future research.

How to evaluate Large Language Models (LLMs) in code generation remains an open question. Existing benchmarks have two limitations - data leakage and lack of domain-specific evaluation. The former hurts the fairness of benchmarks, and the latter hinders practitioners from selecting superior LLMs for specific programming domains. To address these two limitations, we propose a new benchmark - EvoCodeBench, which has the following advances: (1) Evolving data. EvoCodeBench will be dynamically updated every period (e.g., 6 months) to avoid data leakage. This paper releases the first version - EvoCodeBench-2403, containing 275 samples from 25 repositories. (2) A domain taxonomy and domain labels. Based on the statistics of open-source communities, we design a programming domain taxonomy consisting of 10 popular domains. Based on the taxonomy, we annotate each sample in EvoCodeBench with a domain label. (3) Domain-specific evaluations. Besides the Pass@k, we compute the Domain-Specific Improvement (DSI) and define LLMs' comfort and strange domains. These evaluations help practitioners select superior LLMs in specific domains and discover the shortcomings of existing LLMs. We evaluate 8 popular LLMs (e.g., gpt-4, DeepSeek Coder) on EvoCodeBench and summarize some insights. EvoCodeBench reveals the actual abilities of these LLMs in real-world repositories. For example, the highest Pass@1 of gpt-4 on EvoCodeBench-2403 is only 20.74%. Besides, we evaluate LLMs in different domains and discover their comfort and strange domains. For example, gpt-4 performs best in most domains but falls behind others in the Internet domain. StarCoder 2-15B unexpectedly performs well in the Database domain and even outperforms 33B LLMs. EvoCodeBench has been released.

Rotary Position Embedding (RoPE) performs remarkably on language models, especially for length extrapolation of Transformers. However, the impacts of RoPE on computer vision domains have been underexplored, even though RoPE appears capable of enhancing Vision Transformer (ViT) performance in a way similar to the language domain. This study provides a comprehensive analysis of RoPE when applied to ViTs, utilizing practical implementations of RoPE for 2D vision data. The analysis reveals that RoPE demonstrates impressive extrapolation performance, i.e., maintaining precision while increasing image resolution at inference. It eventually leads to performance improvement for ImageNet-1k, COCO detection, and ADE-20k segmentation. We believe this study provides thorough guidelines to apply RoPE into ViT, promising improved backbone performance with minimal extra computational overhead. Our code and pre-trained models are available at https://github.com/naver-ai/rope-vit

Domain adaptation framework of GANs has achieved great progress in recent years as a main successful approach of training contemporary GANs in the case of very limited training data. In this work, we significantly improve this framework by proposing an extremely compact parameter space for fine-tuning the generator. We introduce a novel domain-modulation technique that allows to optimize only 6 thousand-dimensional vector instead of 30 million weights of StyleGAN2 to adapt to a target domain. We apply this parameterization to the state-of-art domain adaptation methods and show that it has almost the same expressiveness as the full parameter space. Additionally, we propose a new regularization loss that considerably enhances the diversity of the fine-tuned generator. Inspired by the reduction in the size of the optimizing parameter space we consider the problem of multi-domain adaptation of GANs, i.e. setting when the same model can adapt to several domains depending on the input query. We propose the HyperDomainNet that is a hypernetwork that predicts our parameterization given the target domain. We empirically confirm that it can successfully learn a number of domains at once and may even generalize to unseen domains. Source code can be found at https://github.com/MACderRu/HyperDomainNet

Despite the remarkable performance that modern deep neural networks have achieved on independent and identically distributed (I.I.D.) data, they can crash under distribution shifts. Most current evaluation methods for domain generalization (DG) adopt the leave-one-out strategy as a compromise on the limited number of domains. We propose a large-scale benchmark with extensive labeled domains named NICO++ along with more rational evaluation methods for comprehensively evaluating DG algorithms. To evaluate DG datasets, we propose two metrics to quantify covariate shift and concept shift, respectively. Two novel generalization bounds from the perspective of data construction are proposed to prove that limited concept shift and significant covariate shift favor the evaluation capability for generalization. Through extensive experiments, NICO++ shows its superior evaluation capability compared with current DG datasets and its contribution in alleviating unfairness caused by the leak of oracle knowledge in model selection.

In Information Retrieval, and more generally in Natural Language Processing, adapting models to specific domains is conducted through fine-tuning. Despite the successes achieved by this method and its versatility, the need for human-curated and labeled data makes it impractical to transfer to new tasks, domains, and/or languages when training data doesn't exist. Using the model without training (zero-shot) is another option that however suffers an effectiveness cost, especially in the case of first-stage retrievers. Numerous research directions have emerged to tackle these issues, most of them in the context of adapting to a task or a language. However, the literature is scarcer for domain (or topic) adaptation. In this paper, we address this issue of cross-topic discrepancy for a sparse first-stage retriever by transposing a method initially designed for language adaptation. By leveraging pre-training on the target data to learn domain-specific knowledge, this technique alleviates the need for annotated data and expands the scope of domain adaptation. Despite their relatively good generalization ability, we show that even sparse retrievers can benefit from our simple domain adaptation method.

Domain shifts such as sensor type changes and geographical situation variations are prevalent in Autonomous Driving (AD), which poses a challenge since AD model relying on the previous domain knowledge can be hardly directly deployed to a new domain without additional costs. In this paper, we provide a new perspective and approach of alleviating the domain shifts, by proposing a Reconstruction-Simulation-Perception (ReSimAD) scheme. Specifically, the implicit reconstruction process is based on the knowledge from the previous old domain, aiming to convert the domain-related knowledge into domain-invariant representations, e.g., 3D scene-level meshes. Besides, the point clouds simulation process of multiple new domains is conditioned on the above reconstructed 3D meshes, where the target-domain-like simulation samples can be obtained, thus reducing the cost of collecting and annotating new-domain data for the subsequent perception process. For experiments, we consider different cross-domain situations such as Waymo-to-KITTI, Waymo-to-nuScenes, Waymo-to-ONCE, etc, to verify the zero-shot target-domain perception using ReSimAD. Results demonstrate that our method is beneficial to boost the domain generalization ability, even promising for 3D pre-training.

Domain Generalization (DG) is a fundamental challenge for machine learning models, which aims to improve model generalization on various domains. Previous methods focus on generating domain invariant features from various source domains. However, we argue that the domain variantions also contain useful information, ie, classification-aware information, for downstream tasks, which has been largely ignored. Different from learning domain invariant features from source domains, we decouple the input images into Domain Expert Features and noise. The proposed domain expert features lie in a learned latent space where the images in each domain can be classified independently, enabling the implicit use of classification-aware domain variations. Based on the analysis, we proposed a novel paradigm called Domain Disentanglement Network (DDN) to disentangle the domain expert features from the source domain images and aggregate the source domain expert features for representing the target test domain. We also propound a new contrastive learning method to guide the domain expert features to form a more balanced and separable feature space. Experiments on the widely-used benchmarks of PACS, VLCS, OfficeHome, DomainNet, and TerraIncognita demonstrate the competitive performance of our method compared to the recently proposed alternatives.

Machine learning systems typically assume that the distributions of training and test sets match closely. However, a critical requirement of such systems in the real world is their ability to generalize to unseen domains. Here, we propose an inter-domain gradient matching objective that targets domain generalization by maximizing the inner product between gradients from different domains. Since direct optimization of the gradient inner product can be computationally prohibitive -- requires computation of second-order derivatives -- we derive a simpler first-order algorithm named Fish that approximates its optimization. We demonstrate the efficacy of Fish on 6 datasets from the Wilds benchmark, which captures distribution shift across a diverse range of modalities. Our method produces competitive results on these datasets and surpasses all baselines on 4 of them. We perform experiments on both the Wilds benchmark, which captures distribution shift in the real world, as well as datasets in DomainBed benchmark that focuses more on synthetic-to-real transfer. Our method produces competitive results on both benchmarks, demonstrating its effectiveness across a wide range of domain generalization tasks.

Though Large Language Models (LLMs) have shown remarkable abilities in mathematics reasoning, they are still struggling with performing numeric operations accurately, such as addition and multiplication. Numbers can be tokenized into tokens in various ways by different LLMs and affect the numeric operations performance. Currently, there are two representatives: 1) Tokenize into 1-digit, and 2) Tokenize into 1sim 3 digit. The difference is roughly equivalent to using different numeral systems (namely base 10 or base 10^{3}). In light of this, we study the scaling behavior of different numeral systems in the context of transformer-based large language models. We empirically show that a base 10 system is consistently more data-efficient than a base 10^{2} or 10^{3} system across training data scale, model sizes under from-scratch training settings, while different number systems have very similar fine-tuning performances. We attribute this to higher token frequencies of a base 10 system. Additionally, we reveal extrapolation behavior patterns on addition and multiplication. We identify that base 100 and base 1000 systems struggle on token-level discernment and token-level operations. We also sheds light on the mechanism learnt by the models.

The mixture proportions of pretraining data domains (e.g., Wikipedia, books, web text) greatly affect language model (LM) performance. In this paper, we propose Domain Reweighting with Minimax Optimization (DoReMi), which first trains a small proxy model using group distributionally robust optimization (Group DRO) over domains to produce domain weights (mixture proportions) without knowledge of downstream tasks. We then resample a dataset with these domain weights and train a larger, full-sized model. In our experiments, we use DoReMi on a 280M-parameter proxy model to find domain weights for training an 8B-parameter model (30x larger) more efficiently. On The Pile, DoReMi improves perplexity across all domains, even when it downweights a domain. DoReMi improves average few-shot downstream accuracy by 6.5% over a baseline model trained using The Pile's default domain weights and reaches the baseline accuracy with 2.6x fewer training steps. On the GLaM dataset, DoReMi, which has no knowledge of downstream tasks, even matches the performance of using domain weights tuned on downstream tasks.

In domain generalization (DG), the target domain is unknown when the model is being trained, and the trained model should successfully work on an arbitrary (and possibly unseen) target domain during inference. This is a difficult problem, and despite active studies in recent years, it remains a great challenge. In this paper, we take a simple yet effective approach to tackle this issue. We propose test-time style shifting, which shifts the style of the test sample (that has a large style gap with the source domains) to the nearest source domain that the model is already familiar with, before making the prediction. This strategy enables the model to handle any target domains with arbitrary style statistics, without additional model update at test-time. Additionally, we propose style balancing, which provides a great platform for maximizing the advantage of test-time style shifting by handling the DG-specific imbalance issues. The proposed ideas are easy to implement and successfully work in conjunction with various other DG schemes. Experimental results on different datasets show the effectiveness of our methods.

The poor performance of transformers on arithmetic tasks seems to stem in large part from their inability to keep track of the exact position of each digit inside of a large span of digits. We mend this problem by adding an embedding to each digit that encodes its position relative to the start of the number. In addition to the boost these embeddings provide on their own, we show that this fix enables architectural modifications such as input injection and recurrent layers to improve performance even further. With positions resolved, we can study the logical extrapolation ability of transformers. Can they solve arithmetic problems that are larger and more complex than those in their training data? We find that training on only 20 digit numbers with a single GPU for one day, we can reach state-of-the-art performance, achieving up to 99% accuracy on 100 digit addition problems. Finally, we show that these gains in numeracy also unlock improvements on other multi-step reasoning tasks including sorting and multiplication.

Lumina-T2X is a nascent family of Flow-based Large Diffusion Transformers that establishes a unified framework for transforming noise into various modalities, such as images and videos, conditioned on text instructions. Despite its promising capabilities, Lumina-T2X still encounters challenges including training instability, slow inference, and extrapolation artifacts. In this paper, we present Lumina-Next, an improved version of Lumina-T2X, showcasing stronger generation performance with increased training and inference efficiency. We begin with a comprehensive analysis of the Flag-DiT architecture and identify several suboptimal components, which we address by introducing the Next-DiT architecture with 3D RoPE and sandwich normalizations. To enable better resolution extrapolation, we thoroughly compare different context extrapolation methods applied to text-to-image generation with 3D RoPE, and propose Frequency- and Time-Aware Scaled RoPE tailored for diffusion transformers. Additionally, we introduced a sigmoid time discretization schedule to reduce sampling steps in solving the Flow ODE and the Context Drop method to merge redundant visual tokens for faster network evaluation, effectively boosting the overall sampling speed. Thanks to these improvements, Lumina-Next not only improves the quality and efficiency of basic text-to-image generation but also demonstrates superior resolution extrapolation capabilities and multilingual generation using decoder-based LLMs as the text encoder, all in a zero-shot manner. To further validate Lumina-Next as a versatile generative framework, we instantiate it on diverse tasks including visual recognition, multi-view, audio, music, and point cloud generation, showcasing strong performance across these domains. By releasing all codes and model weights, we aim to advance the development of next-generation generative AI capable of universal modeling.

There has been an influx of biomedical domain-specific language models, showing language models pre-trained on biomedical text perform better on biomedical domain benchmarks than those trained on general domain text corpora such as Wikipedia and Books. Yet, most works do not study the factors affecting each domain language application deeply. Additionally, the study of model size on domain-specific models has been mostly missing. We empirically study and evaluate several factors that can affect performance on domain language applications, such as the sub-word vocabulary set, model size, pre-training corpus, and domain transfer. We show consistent improvements on benchmarks with our larger BioMegatron model trained on a larger domain corpus, contributing to our understanding of domain language model applications. We demonstrate noticeable improvements over the previous state-of-the-art (SOTA) on standard biomedical NLP benchmarks of named entity recognition, relation extraction, and question answering. Model checkpoints and code are available at [https://ngc.nvidia.com] and [https://github.com/NVIDIA/NeMo].

Many recent machine learning tasks focus to develop models that can generalize to unseen distributions. Domain generalization (DG) has become one of the key topics in various fields. Several literatures show that DG can be arbitrarily hard without exploiting target domain information. To address this issue, test-time adaptive (TTA) methods are proposed. Existing TTA methods require offline target data or extra sophisticated optimization procedures during the inference stage. In this work, we adopt Non-Parametric Classifier to perform the test-time Adaptation (AdaNPC). In particular, we construct a memory that contains the feature and label pairs from training domains. During inference, given a test instance, AdaNPC first recalls K closed samples from the memory to vote for the prediction, and then the test feature and predicted label are added to the memory. In this way, the sample distribution in the memory can be gradually changed from the training distribution towards the test distribution with very little extra computation cost. We theoretically justify the rationality behind the proposed method. Besides, we test our model on extensive numerical experiments. AdaNPC significantly outperforms competitive baselines on various DG benchmarks. In particular, when the adaptation target is a series of domains, the adaptation accuracy of AdaNPC is 50% higher than advanced TTA methods. The code is available at https://github.com/yfzhang114/AdaNPC.

Image-level regression is an important task in Earth observation, where visual domain and label shifts are a core challenge hampering generalization. However, cross-domain regression within remote sensing data remains understudied due to the absence of suited datasets. We introduce a new dataset with aerial and satellite imagery in five countries with three forest-related regression tasks. To match real-world applicative interests, we compare methods through a restrictive setup where no prior on the target domain is available during training, and models are adapted with limited information during testing. Building on the assumption that ordered relationships generalize better, we propose manifold diffusion for regression as a strong baseline for transduction in low-data regimes. Our comparison highlights the comparative advantages of inductive and transductive methods in cross-domain regression.

Large Language Models (LLMs) perform well in general QA but often struggle in domain-specific scenarios. Retrieval-Augmented Generation (RAG) introduces external knowledge but suffers from hallucinations and latency due to noisy retrievals. Continued pretraining internalizes domain knowledge but is costly and lacks cross-domain flexibility. We attribute this challenge to the long-tail distribution of domain knowledge, which leaves partial yet useful internal knowledge underutilized. We further argue that knowledge acquisition should be progressive, mirroring human learning: first understanding concepts, then applying them to complex reasoning. To address this, we propose Selct2Know (S2K), a cost-effective framework that internalizes domain knowledge through an internal-external knowledge self-selection strategy and selective supervised fine-tuning. We also introduce a structured reasoning data generation pipeline and integrate GRPO to enhance reasoning ability. Experiments on medical, legal, and financial QA benchmarks show that S2K consistently outperforms existing methods and matches domain-pretrained LLMs with significantly lower cost.

Domain adaptation aims to mitigate distribution shifts among different domains. However, traditional formulations are mostly limited to categorical domains, greatly simplifying nuanced domain relationships in the real world. In this work, we tackle a generalization with taxonomy-structured domains, which formalizes domains with nested, hierarchical similarity structures such as animal species and product catalogs. We build on the classic adversarial framework and introduce a novel taxonomist, which competes with the adversarial discriminator to preserve the taxonomy information. The equilibrium recovers the classic adversarial domain adaptation's solution if given a non-informative domain taxonomy (e.g., a flat taxonomy where all leaf nodes connect to the root node) while yielding non-trivial results with other taxonomies. Empirically, our method achieves state-of-the-art performance on both synthetic and real-world datasets with successful adaptation. Code is available at https://github.com/Wang-ML-Lab/TSDA.

In math reasoning with large language models (LLMs), fine-tuning data augmentation by query evolution and diverse reasoning paths is empirically verified effective, profoundly narrowing the gap between open-sourced LLMs and cutting-edge proprietary LLMs. In this paper, we conduct an investigation for such data augmentation in math reasoning and are intended to answer: (1) What strategies of data augmentation are more effective; (2) What is the scaling relationship between the amount of augmented data and model performance; and (3) Can data augmentation incentivize generalization to out-of-domain mathematical reasoning tasks? To this end, we create a new dataset, AugGSM8K, by complicating and diversifying the queries from GSM8K and sampling multiple reasoning paths. We obtained a series of LLMs called MuggleMath by fine-tuning on subsets of AugGSM8K. MuggleMath substantially achieves new state-of-the-art on GSM8K (from 54% to 68.4% at the scale of 7B, and from 63.9% to 74.0% at the scale of 13B). A log-linear relationship is presented between MuggleMath's performance and the amount of augmented data. We also find that MuggleMath is weak in out-of-domain math reasoning generalization to MATH. This is attributed to the differences in query distribution between AugGSM8K and MATH which suggest that augmentation on a single benchmark could not help with overall math reasoning performance. Codes and AugGSM8K will be uploaded to https://github.com/OFA-Sys/gsm8k-ScRel.

We present ORCA (Omni Research on Calculation in AI) Benchmark - a novel benchmark that evaluates large language models (LLMs) on multi-domain, real-life quantitative reasoning using verified outputs from Omni's calculator engine. In 500 natural-language tasks across domains such as finance, physics, health, and statistics, the five state-of-the-art systems (ChatGPT-5, Gemini~2.5~Flash, Claude~Sonnet~4.5, Grok~4, and DeepSeek~V3.2) achieved only 45--63,% accuracy, with errors mainly related to rounding (35,%) and calculation mistakes (33,%). Results in specific domains indicate strengths in mathematics and engineering, but weaknesses in physics and natural sciences. Correlation analysis (r approx 0.40--0.65) shows that the models often fail together but differ in the types of errors they make, highlighting their partial complementarity rather than redundancy. Unlike standard math datasets, ORCA evaluates step-by-step reasoning, numerical precision, and domain generalization across real problems from finance, physics, health, and statistics.

Large Language Models (LLMs) have exhibited remarkable proficiency across a wide array of NLP tasks. However, the escalation in model size also engenders substantial deployment costs. While few efforts have explored model pruning techniques to reduce the size of LLMs, they mainly center on general or task-specific weights. This leads to suboptimal performance due to lacking specificity on the target domain or generality on different tasks when applied to domain-specific challenges. This work introduces an innovative unstructured dual-pruning methodology, D-Pruner, for domain-specific compression on LLM. It extracts a compressed, domain-specific, and task-agnostic LLM by identifying LLM weights that are pivotal for general capabilities, like linguistic capability and multi-task solving, and domain-specific knowledge. More specifically, we first assess general weight importance by quantifying the error incurred upon their removal with the help of an open-domain calibration dataset. Then, we utilize this general weight importance to refine the training loss, so that it preserves generality when fitting into a specific domain. Moreover, by efficiently approximating weight importance with the refined training loss on a domain-specific calibration dataset, we obtain a pruned model emphasizing generality and specificity. Our comprehensive experiments across various tasks in healthcare and legal domains show the effectiveness of D-Pruner in domain-specific compression. Our code is available at https://github.com/psunlpgroup/D-Pruner.

Domain Adaptation (DA) is a method for enhancing a model's performance on a target domain with inadequate annotated data by applying the information the model has acquired from a related source domain with sufficient labeled data. The escalating enforcement of data-privacy regulations like HIPAA, COPPA, FERPA, etc. have sparked a heightened interest in adapting models to novel domains while circumventing the need for direct access to the source data, a problem known as Source-Free Domain Adaptation (SFDA). In this paper, we propose a novel framework for SFDA that generates source data using a text-to-image diffusion model trained on the target domain samples. Our method starts by training a text-to-image diffusion model on the labeled target domain samples, which is then fine-tuned using the pre-trained source model to generate samples close to the source data. Finally, we use Domain Adaptation techniques to align the artificially generated source data with the target domain data, resulting in significant performance improvements of the model on the target domain. Through extensive comparison against several baselines on the standard Office-31, Office-Home, and VisDA benchmarks, we demonstrate the effectiveness of our approach for the SFDA task.

Previous literature offers limited clues on how to learn a periodic function using modern neural networks. We start with a study of the extrapolation properties of neural networks; we prove and demonstrate experimentally that the standard activations functions, such as ReLU, tanh, sigmoid, along with their variants, all fail to learn to extrapolate simple periodic functions. We hypothesize that this is due to their lack of a "periodic" inductive bias. As a fix of this problem, we propose a new activation, namely, x + sin^2(x), which achieves the desired periodic inductive bias to learn a periodic function while maintaining a favorable optimization property of the ReLU-based activations. Experimentally, we apply the proposed method to temperature and financial data prediction.

We introduce~Domain2Vec, a novel approach that decomposes any dataset into a linear combination of several meta-domains, a new concept designed to capture the key underlying features of datasets. Domain2Vec maintains a vocabulary of meta-domains and uses a classifier to decompose any given dataset into a domain vector that corresponds to a distribution over this vocabulary. These domain vectors enable the identification of the optimal data mixture for language model (LM) pretraining in a training-free manner under the \textbf{Distribution Alignment Assumption} (DA^{2}), which suggests that when the data distributions of the training set and the validation set are better aligned, a lower validation loss is achieved. Moreover, Domain2vec can be seamlessly integrated into previous works to model the relationship between domain vectors and LM performance, greatly enhancing the efficiency and scalability of previous methods. Extensive experiments demonstrate that Domain2Vec helps find the data mixture that enhances downstream task performance with minimal computational overhead. Specifically, Domain2Vec achieves the same validation loss on Pile-CC using only 51.5% of the computation required when training on the original mixture of The Pile dataset. Under equivalent compute budget, Domain2Vec improves downstream performance by an average of 2.83%.

Machine learning models fail to perform when facing out-of-distribution (OOD) domains, a challenging task known as domain generalization (DG). In this work, we develop a novel DG training strategy, we call PGrad, to learn a robust gradient direction, improving models' generalization ability on unseen domains. The proposed gradient aggregates the principal directions of a sampled roll-out optimization trajectory that measures the training dynamics across all training domains. PGrad's gradient design forces the DG training to ignore domain-dependent noise signals and updates all training domains with a robust direction covering main components of parameter dynamics. We further improve PGrad via bijection-based computational refinement and directional plus length-based calibrations. Our theoretical proof connects PGrad to the spectral analysis of Hessian in training neural networks. Experiments on DomainBed and WILDS benchmarks demonstrate that our approach effectively enables robust DG optimization and leads to smoothly decreased loss curves. Empirically, PGrad achieves competitive results across seven datasets, demonstrating its efficacy across both synthetic and real-world distributional shifts. Code is available at https://github.com/QData/PGrad.

Broad textual understanding and in-context learning require language models that utilize full document contexts. Due to the implementation challenges associated with directly training long-context models, many methods have been proposed for extending models to handle long contexts. However, owing to differences in data and model classes, it has been challenging to compare these approaches, leading to uncertainty as to how to evaluate long-context performance and whether it differs from standard evaluation. We implement a controlled protocol for extension methods with a standardized evaluation, utilizing consistent base models and extension data. Our study yields several insights into long-context behavior. First, we reaffirm the critical role of perplexity as a general-purpose performance indicator even in longer-context tasks. Second, we find that current approximate attention methods systematically underperform across long-context tasks. Finally, we confirm that exact fine-tuning based methods are generally effective within the range of their extension, whereas extrapolation remains challenging. All codebases, models, and checkpoints will be made available open-source, promoting transparency and facilitating further research in this critical area of AI development.

Recent advancements in diffusion models have revolutionized generative modeling. However, the impressive and vivid outputs they produce often come at the cost of significant model scaling and increased computational demands. Consequently, building personalized diffusion models based on off-the-shelf models has emerged as an appealing alternative. In this paper, we introduce a novel perspective on conditional generation for transferring a pre-trained model. From this viewpoint, we propose *Domain Guidance*, a straightforward transfer approach that leverages pre-trained knowledge to guide the sampling process toward the target domain. Domain Guidance shares a formulation similar to advanced classifier-free guidance, facilitating better domain alignment and higher-quality generations. We provide both empirical and theoretical analyses of the mechanisms behind Domain Guidance. Our experimental results demonstrate its substantial effectiveness across various transfer benchmarks, achieving over a 19.6% improvement in FID and a 23.4% improvement in FD_DINOv2 compared to standard fine-tuning. Notably, existing fine-tuned models can seamlessly integrate Domain Guidance to leverage these benefits, without additional training.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

Generalist LLM agents are often post-trained on a narrow set of environments but deployed across far broader, unseen domains. In this work, we investigate the challenge of agentic post-training when the eventual test domains are unknown. Specifically, we analyze which properties of reinforcement learning (RL) environments and modeling choices have the greatest influence on out-of-domain performance. First, we identify two environment axes that strongly correlate with cross-domain generalization: (i) state information richness, i.e., the amount of information for the agent to process from the state, and (ii) planning complexity, estimated via goal reachability and trajectory length under a base policy. Notably, domain realism and text-level similarity are not the primary factors; for instance, the simple grid-world domain Sokoban leads to even stronger generalization in SciWorld than the more realistic ALFWorld. Motivated by these findings, we further show that increasing state information richness alone can already effectively improve cross-domain robustness. We propose a randomization technique, which is low-overhead and broadly applicable: add small amounts of distractive goal-irrelevant features to the state to make it richer without altering the task. Beyond environment-side properties, we also examine several modeling choices: (a) SFT warmup or mid-training helps prevent catastrophic forgetting during RL but undermines generalization to domains that are not included in the mid-training datamix; and (b) turning on step-by-step thinking during RL, while not always improving in-domain performance, plays a crucial role in preserving generalization.

Domain-specific embedding models have shown promise for applications that require specialized semantic understanding, such as coding agents and financial retrieval systems, often achieving higher performance gains than general models. However, state-of-the-art embedding models are typically based on LLMs, which contain billions of parameters, making deployment challenging in resource-constrained environments. Model compression through pruning offers a promising solution, but existing pruning methods treat all parameters uniformly, failing to distinguish between general semantic representations and domain-specific patterns, leading to suboptimal pruning decisions. Thus, we propose GAPrune, a pruning framework that addresses this challenge by considering both domain importance and preserving general linguistic foundation. Our method uses Fisher Information to measure importance and general-domain gradient alignment to assess parameter behavior, then combines these signals using our Domain Alignment Importance (DAI) scoring. Lower DAI scores indicate that the parameter is either less important for the domain task or creates conflicts between domain and general objectives. Experiments on two domain benchmarks, FinMTEB and ChemTEB, show that GAPrune maintains performance within 2.5% of dense models in one-shot pruning at 50% sparsity, while outperforming all baselines. With retraining in 100 steps, GAPrune achieves +4.51% improvement on FinMTEB and +1.73% on ChemTEB, demonstrating that our pruning strategy not only preserves but enhances domain-specific capabilities. Our findings demonstrate that principled pruning strategies can achieve model compression and enhanced domain specialization, providing the research community with a new approach for development.

Recent unsupervised domain adaptation methods have utilized vicinal space between the source and target domains. However, the equilibrium collapse of labels, a problem where the source labels are dominant over the target labels in the predictions of vicinal instances, has never been addressed. In this paper, we propose an instance-wise minimax strategy that minimizes the entropy of high uncertainty instances in the vicinal space to tackle the stated problem. We divide the vicinal space into two subspaces through the solution of the minimax problem: contrastive space and consensus space. In the contrastive space, inter-domain discrepancy is mitigated by constraining instances to have contrastive views and labels, and the consensus space reduces the confusion between intra-domain categories. The effectiveness of our method is demonstrated on public benchmarks, including Office-31, Office-Home, and VisDA-C, achieving state-of-the-art performances. We further show that our method outperforms the current state-of-the-art methods on PACS, which indicates that our instance-wise approach works well for multi-source domain adaptation as well. Code is available at https://github.com/NaJaeMin92/CoVi.

This work studies the generalization issue of face anti-spoofing (FAS) models on domain gaps, such as image resolution, blurriness and sensor variations. Most prior works regard domain-specific signals as a negative impact, and apply metric learning or adversarial losses to remove them from feature representation. Though learning a domain-invariant feature space is viable for the training data, we show that the feature shift still exists in an unseen test domain, which backfires on the generalizability of the classifier. In this work, instead of constructing a domain-invariant feature space, we encourage domain separability while aligning the live-to-spoof transition (i.e., the trajectory from live to spoof) to be the same for all domains. We formulate this FAS strategy of separability and alignment (SA-FAS) as a problem of invariant risk minimization (IRM), and learn domain-variant feature representation but domain-invariant classifier. We demonstrate the effectiveness of SA-FAS on challenging cross-domain FAS datasets and establish state-of-the-art performance.

The coverage and composition of the pretraining data significantly impacts the generalization ability of Large Language Models (LLMs). Despite its importance, recent LLMs still rely on heuristics and trial and error to increase or reduce the influence of data-domains. We propose DOmain reweighting with Generalization Estimation (DoGE), which optimizes the probability of sampling from each domain (domain weights) in a principled way. Our approach is a two-stage process consisting of (i) training a proxy model to obtain domain weights using a bi-level optimization algorithm; (ii) training a larger base model by sampling training domains according to the learned domain weights. In our experiments, we extensively show how DoGE improves the generalization of the base model to any target data mixture. On the SlimPajama dataset, our base model gets better perplexity and few-shot reasoning accuracies across 6 tasks compared to baseline methods. Moreover, aiming to generalize to out-of-domain target tasks, which is unseen in the pretraining corpus (OOD domain), DoGE can effectively identify inter-domain dependencies, and consistently achieves better test perplexity on the target domain.

Invariance learning algorithms that conditionally filter out domain-specific random variables as distractors, do so based only on the data semantics, and not the target domain under evaluation. We show that a provably optimal and sample-efficient way of learning conditional invariances is by relaxing the invariance criterion to be non-commutatively directed towards the target domain. Under domain asymmetry, i.e., when the target domain contains semantically relevant information absent in the source, the risk of the encoder varphi^* that is optimal on average across domains is strictly lower-bounded by the risk of the target-specific optimal encoder Phi^*_tau. We prove that non-commutativity steers the optimization towards Phi^*_tau instead of varphi^*, bringing the H-divergence between domains down to zero, leading to a stricter bound on the target risk. Both our theory and experiments demonstrate that non-commutative invariance (NCI) can leverage source domain samples to meet the sample complexity needs of learning Phi^*_tau, surpassing SOTA invariance learning algorithms for domain adaptation, at times by over 2%, approaching the performance of an oracle. Implementation is available at https://github.com/abhrac/nci.

In this paper, we investigate the length-extension of state-space models (SSMs) in language modeling. Length extension involves training models on short sequences and testing them on longer ones. We show that state-space models trained with zero hidden states initialization have difficulty doing length extension. We explain this difficulty by pointing out the length extension is equivalent to polynomial extrapolation. Based on the theory, we propose a simple yet effective method - changing the hidden states initialization scheme - to improve the length extension. Moreover, our method shows that using long training sequence length is beneficial but not necessary to length extension. Changing the hidden state initialization enables the efficient training of long-memory model with a smaller training context length.

Deep learning in computer vision has achieved great success with the price of large-scale labeled training data. However, exhaustive data annotation is impracticable for each task of all domains of interest, due to high labor costs and unguaranteed labeling accuracy. Besides, the uncontrollable data collection process produces non-IID training and test data, where undesired duplication may exist. All these nuisances may hinder the verification of typical theories and exposure to new findings. To circumvent them, an alternative is to generate synthetic data via 3D rendering with domain randomization. We in this work push forward along this line by doing profound and extensive research on bare supervised learning and downstream domain adaptation. Specifically, under the well-controlled, IID data setting enabled by 3D rendering, we systematically verify the typical, important learning insights, e.g., shortcut learning, and discover the new laws of various data regimes and network architectures in generalization. We further investigate the effect of image formation factors on generalization, e.g., object scale, material texture, illumination, camera viewpoint, and background in a 3D scene. Moreover, we use the simulation-to-reality adaptation as a downstream task for comparing the transferability between synthetic and real data when used for pre-training, which demonstrates that synthetic data pre-training is also promising to improve real test results. Lastly, to promote future research, we develop a new large-scale synthetic-to-real benchmark for image classification, termed S2RDA, which provides more significant challenges for transfer from simulation to reality. The code and datasets are available at https://github.com/huitangtang/On_the_Utility_of_Synthetic_Data.

Both real and fake news in various domains, such as politics, health, and entertainment are spread via online social media every day, necessitating fake news detection for multiple domains. Among them, fake news in specific domains like politics and health has more serious potential negative impacts on the real world (e.g., the infodemic led by COVID-19 misinformation). Previous studies focus on multi-domain fake news detection, by equally mining and modeling the correlation between domains. However, these multi-domain methods suffer from a seesaw problem: the performance of some domains is often improved at the cost of hurting the performance of other domains, which could lead to an unsatisfying performance in specific domains. To address this issue, we propose a Domain- and Instance-level Transfer Framework for Fake News Detection (DITFEND), which could improve the performance of specific target domains. To transfer coarse-grained domain-level knowledge, we train a general model with data of all domains from the meta-learning perspective. To transfer fine-grained instance-level knowledge and adapt the general model to a target domain, we train a language model on the target domain to evaluate the transferability of each data instance in source domains and re-weigh each instance's contribution. Offline experiments on two datasets demonstrate the effectiveness of DITFEND. Online experiments show that DITFEND brings additional improvements over the base models in a real-world scenario.

Conventional continual pretraining (CPT) for large language model (LLM) domain adaptation often suffers from catastrophic forgetting and limited domain capacity. Existing strategies adopt layer expansion, introducing additional trainable parameters to accommodate new knowledge. However, the uniform expansion and updates still entangle general and domain learning, undermining its effectiveness. Our pilot studies reveal that LLMs exhibit functional specialization, where layers and units differentially encode general-critical capabilities, suggesting that parameter expansion and optimization should be function-aware. We then propose ADEPT, Adaptive Expansion and Dynamic Decoupled Tuning for continual pretraining, a two-stage framework for domain-adaptive CPT. ADEPT first performs General-Competence Guided Selective Layer Expansion, duplicating layers least critical for the general domain to increase representational capacity while minimizing interference with general knowledge. It then applies Adaptive Unit-Wise Decoupled Tuning, disentangling parameter units within expanded layers according to their general-domain importance and assigning asymmetric learning rates to balance knowledge injection and retention. Experiments on mathematical and medical benchmarks show that ADEPT outperforms full-parameter CPT by up to 5.76% on the general domain and 5.58% on the target domain with only 15% of parameters tuned and less than 50% training time. Ablation studies, theoretical analysis, and extended investigations further demonstrate the necessity of targeted expansion and decoupled optimization, providing new principles for efficient and robust domain-adaptive CPT. Our code is open-sourced at https://github.com/PuppyKnightUniversity/ADEPT

Domain generalization (DG) aims to adapt a model using one or multiple source domains to ensure robust performance in unseen target domains. Recently, Parameter-Efficient Fine-Tuning (PEFT) of foundation models has shown promising results in the context of DG problem. Nevertheless, existing PEFT methods still struggle to strike a balance between preserving generalizable components of the pre-trained model and learning task-specific features. To gain insights into the distribution of generalizable components, we begin by analyzing the pre-trained weights through the lens of singular value decomposition. Building on these insights, we introduce Singular Value Decomposed Minor Components Adaptation (SoMA), an approach that selectively tunes minor singular components while keeping the residual parts frozen. SoMA effectively retains the generalization ability of the pre-trained model while efficiently acquiring task-specific skills. Moreover, we freeze domain-generalizable blocks and employ an annealing weight decay strategy, thereby achieving an optimal balance in the delicate trade-off between generalizability and discriminability. SoMA attains state-of-the-art results on multiple benchmarks that span both domain generalized semantic segmentation to domain generalized object detection. In addition, our methods introduce no additional inference overhead or regularization loss, maintain compatibility with any backbone or head, and are designed to be versatile, allowing easy integration into a wide range of tasks.

Neural networks can learn to represent and manipulate numerical information, but they seldom generalize well outside of the range of numerical values encountered during training. To encourage more systematic numerical extrapolation, we propose an architecture that represents numerical quantities as linear activations which are manipulated using primitive arithmetic operators, controlled by learned gates. We call this module a neural arithmetic logic unit (NALU), by analogy to the arithmetic logic unit in traditional processors. Experiments show that NALU-enhanced neural networks can learn to track time, perform arithmetic over images of numbers, translate numerical language into real-valued scalars, execute computer code, and count objects in images. In contrast to conventional architectures, we obtain substantially better generalization both inside and outside of the range of numerical values encountered during training, often extrapolating orders of magnitude beyond trained numerical ranges.

Large Language Models (LLMs) are widely applied to downstream domains. However, current LLMs for high-stakes domain tasks, such as financial investment and legal QA, typically generate brief answers without reasoning processes and explanations. This limits users' confidence in making decisions based on their responses. While original CoT shows promise, it lacks self-correction mechanisms during reasoning. This work introduces Domaino1s, which enhances LLMs' reasoning capabilities on domain tasks through supervised fine-tuning and tree search. We construct CoT-stock-2k and CoT-legal-2k datasets for fine-tuning models that activate domain-specific reasoning steps based on their judgment. Additionally, we propose Selective Tree Exploration to spontaneously explore solution spaces and sample optimal reasoning paths to improve performance. We also introduce PROOF-Score, a new metric for evaluating domain models' explainability, complementing traditional accuracy metrics with richer assessment dimensions. Extensive experiments on stock investment recommendation and legal reasoning QA tasks demonstrate Domaino1s's leading performance and explainability. Our code is available at https://anonymous.4open.science/r/Domaino1s-006F/.

Training Large Language Models (LLMs) for chain-of-thought reasoning presents a significant challenge: supervised fine-tuning on a single "golden" rationale hurts generalization as it penalizes equally valid alternatives, whereas reinforcement learning with verifiable rewards struggles with credit assignment and prohibitive computational cost. To tackle these limitations, we introduce InTRO (In-Token Rationality Optimization), a new framework that enables both token-level exploration and self-feedback for accurate and concise reasoning. Instead of directly optimizing an intractable objective over all valid reasoning paths, InTRO leverages correction factors-token-wise importance weights estimated by the information discrepancy between the generative policy and its answer-conditioned counterpart, for informative next token selection. This approach allows the model to perform token-level exploration and receive self-generated feedback within a single forward pass, ultimately encouraging accurate and concise rationales. Across six math-reasoning benchmarks, InTRO consistently outperforms other baselines, raising solution accuracy by up to 20% relative to the base model. Its chains of thought are also notably more concise, exhibiting reduced verbosity. Beyond this, InTRO enables cross-domain transfer, successfully adapting to out-of-domain reasoning tasks that extend beyond the realm of mathematics, demonstrating robust generalization.

In Self-Supervised Learning (SSL), models are typically pretrained, fine-tuned, and evaluated on the same domains. However, they tend to perform poorly when evaluated on unseen domains, a challenge that Unsupervised Domain Generalization (UDG) seeks to address. Current UDG methods rely on domain labels, which are often challenging to collect, and domain-specific architectures that lack scalability when confronted with numerous domains, making the current methodology impractical and rigid. Inspired by contrastive-based UDG methods that mitigate spurious correlations by restricting comparisons to examples from the same domain, we hypothesize that eliminating style variability within a batch could provide a more convenient and flexible way to reduce spurious correlations without requiring domain labels. To verify this hypothesis, we introduce Batch Styles Standardization (BSS), a relatively simple yet powerful Fourier-based method to standardize the style of images in a batch specifically designed for integration with SSL methods to tackle UDG. Combining BSS with existing SSL methods offers serious advantages over prior UDG methods: (1) It eliminates the need for domain labels or domain-specific network components to enhance domain-invariance in SSL representations, and (2) offers flexibility as BSS can be seamlessly integrated with diverse contrastive-based but also non-contrastive-based SSL methods. Experiments on several UDG datasets demonstrate that it significantly improves downstream task performances on unseen domains, often outperforming or rivaling with UDG methods. Finally, this work clarifies the underlying mechanisms contributing to BSS's effectiveness in improving domain-invariance in SSL representations and performances on unseen domain.

We present a decoder-only Transformer architecture that robustly generalizes to sequence lengths substantially longer than those seen during training. Our model, SWAN-GPT, interleaves layers without positional encodings (NoPE) and sliding-window attention layers equipped with rotary positional encodings (SWA-RoPE). Experiments demonstrate strong performance on sequence lengths significantly longer than the training length without the need for additional long-context training. This robust length extrapolation is achieved through our novel architecture, enhanced by a straightforward dynamic scaling of attention scores during inference. In addition, SWAN-GPT is more computationally efficient than standard GPT architectures, resulting in cheaper training and higher throughput. Further, we demonstrate that existing pre-trained decoder-only models can be efficiently converted to the SWAN architecture with minimal continued training, enabling longer contexts. Overall, our work presents an effective approach for scaling language models to longer contexts in a robust and efficient manner.

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM's embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM's performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.

Nature is infinitely resolution-free. In the context of this reality, existing diffusion models, such as Diffusion Transformers, often face challenges when processing image resolutions outside of their trained domain. To address this limitation, we conceptualize images as sequences of tokens with dynamic sizes, rather than traditional methods that perceive images as fixed-resolution grids. This perspective enables a flexible training strategy that seamlessly accommodates various aspect ratios during both training and inference, thus promoting resolution generalization and eliminating biases introduced by image cropping. On this basis, we present the Flexible Vision Transformer (FiT), a transformer architecture specifically designed for generating images with unrestricted resolutions and aspect ratios. We further upgrade the FiT to FiTv2 with several innovative designs, includingthe Query-Key vector normalization, the AdaLN-LoRA module, a rectified flow scheduler, and a Logit-Normal sampler. Enhanced by a meticulously adjusted network structure, FiTv2 exhibits 2times convergence speed of FiT. When incorporating advanced training-free extrapolation techniques, FiTv2 demonstrates remarkable adaptability in both resolution extrapolation and diverse resolution generation. Additionally, our exploration of the scalability of the FiTv2 model reveals that larger models exhibit better computational efficiency. Furthermore, we introduce an efficient post-training strategy to adapt a pre-trained model for the high-resolution generation. Comprehensive experiments demonstrate the exceptional performance of FiTv2 across a broad range of resolutions. We have released all the codes and models at https://github.com/whlzy/FiT to promote the exploration of diffusion transformer models for arbitrary-resolution image generation.

Synthetic data (SIM) drawn from simulators have emerged as a popular alternative for training models where acquiring annotated real-world images is difficult. However, transferring models trained on synthetic images to real-world applications can be challenging due to appearance disparities. A commonly employed solution to counter this SIM2REAL gap is unsupervised domain adaptation, where models are trained using labeled SIM data and unlabeled REAL data. Mispredictions made by such SIM2REAL adapted models are often associated with miscalibration - stemming from overconfident predictions on real data. In this paper, we introduce AUGCAL, a simple training-time patch for unsupervised adaptation that improves SIM2REAL adapted models by - (1) reducing overall miscalibration, (2) reducing overconfidence in incorrect predictions and (3) improving confidence score reliability by better guiding misclassification detection - all while retaining or improving SIM2REAL performance. Given a base SIM2REAL adaptation algorithm, at training time, AUGCAL involves replacing vanilla SIM images with strongly augmented views (AUG intervention) and additionally optimizing for a training time calibration loss on augmented SIM predictions (CAL intervention). We motivate AUGCAL using a brief analytical justification of how to reduce miscalibration on unlabeled REAL data. Through our experiments, we empirically show the efficacy of AUGCAL across multiple adaptation methods, backbones, tasks and shifts.